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b/manual/v2.0.5/en/_static/alabaster.css new file mode 100644 index 00000000..8ac18fed --- /dev/null +++ b/manual/v2.0.5/en/_static/alabaster.css @@ -0,0 +1,703 @@ +@import url("basic.css"); + +/* -- page layout ----------------------------------------------------------- */ + +body { + font-family: Georgia; + font-size: 17px; + background-color: #fff; + color: #000; + margin: 0; + padding: 0; +} + + +div.document { + width: 940px; + margin: 30px auto 0 auto; +} + +div.documentwrapper { + float: left; + width: 100%; +} + +div.bodywrapper { + margin: 0 0 0 220px; +} + +div.sphinxsidebar { + width: 220px; + font-size: 14px; + line-height: 1.5; +} + +hr { + border: 1px solid #B1B4B6; +} + +div.body { + background-color: #fff; + color: #3E4349; + padding: 0 30px 0 30px; +} + +div.body > .section { + text-align: left; +} + +div.footer { + width: 940px; + margin: 20px auto 30px auto; + font-size: 14px; + color: #888; + text-align: right; +} + +div.footer a { + color: #888; +} + +p.caption { + font-family: inherit; + font-size: inherit; +} + + +div.relations { + display: none; +} + + +div.sphinxsidebar a { + color: #444; + text-decoration: none; + border-bottom: 1px dotted #999; +} + +div.sphinxsidebar a:hover { + border-bottom: 1px solid #999; +} + +div.sphinxsidebarwrapper { + padding: 18px 10px; +} + +div.sphinxsidebarwrapper p.logo { + padding: 0; + margin: -10px 0 0 0px; + text-align: center; +} + +div.sphinxsidebarwrapper h1.logo { + margin-top: -10px; + text-align: center; + margin-bottom: 5px; + text-align: left; +} + +div.sphinxsidebarwrapper h1.logo-name { + margin-top: 0px; +} + +div.sphinxsidebarwrapper p.blurb { + margin-top: 0; + font-style: normal; +} + +div.sphinxsidebar h3, +div.sphinxsidebar h4 { + font-family: Georgia; + color: #444; + font-size: 24px; + font-weight: normal; + margin: 0 0 5px 0; + padding: 0; +} + +div.sphinxsidebar h4 { + font-size: 20px; +} + +div.sphinxsidebar h3 a { + color: #444; +} + +div.sphinxsidebar p.logo a, +div.sphinxsidebar h3 a, +div.sphinxsidebar p.logo a:hover, +div.sphinxsidebar h3 a:hover { + border: none; +} + +div.sphinxsidebar p { + color: #555; + margin: 10px 0; +} + +div.sphinxsidebar ul { + margin: 10px 0; + padding: 0; + color: #000; +} + +div.sphinxsidebar ul li.toctree-l1 > a { + font-size: 120%; +} + +div.sphinxsidebar ul li.toctree-l2 > a { + font-size: 110%; +} + +div.sphinxsidebar input { + border: 1px solid pink_1; + font-family: Georgia; + font-size: 1em; +} + +div.sphinxsidebar hr { + border: none; + height: 1px; + color: #AAA; + background: #AAA; + + text-align: left; + margin-left: 0; + width: 50%; +} + +div.sphinxsidebar .badge { + border-bottom: none; +} + +div.sphinxsidebar .badge:hover { + border-bottom: none; +} + +/* To address an issue with donation coming after search */ +div.sphinxsidebar h3.donation { + margin-top: 10px; +} + +/* -- body styles ----------------------------------------------------------- */ + +a { + color: #004B6B; + text-decoration: underline; +} + +a:hover { + color: #6D4100; + text-decoration: underline; +} + +div.body h1, +div.body h2, +div.body h3, +div.body h4, +div.body h5, +div.body h6 { + font-family: Georgia; + font-weight: normal; + margin: 30px 0px 10px 0px; + padding: 0; +} + +div.body h1 { margin-top: 0; padding-top: 0; font-size: 240%; } +div.body h2 { font-size: 180%; } +div.body h3 { font-size: 150%; } +div.body h4 { font-size: 130%; } +div.body h5 { font-size: 100%; } +div.body h6 { font-size: 100%; } + +a.headerlink { + color: #DDD; + padding: 0 4px; + text-decoration: none; +} + +a.headerlink:hover { + color: #444; + background: #EAEAEA; +} + +div.body p, div.body dd, div.body li { + line-height: 1.4em; +} + +div.admonition { + margin: 20px 0px; + padding: 10px 30px; + background-color: #EEE; + border: 1px solid #CCC; +} + +div.admonition tt.xref, div.admonition code.xref, div.admonition a tt { + background-color: #FBFBFB; + border-bottom: 1px solid #fafafa; +} + +div.admonition p.admonition-title { + font-family: Georgia; + font-weight: normal; + font-size: 24px; + margin: 0 0 10px 0; + padding: 0; + line-height: 1; +} + +div.admonition p.last { + margin-bottom: 0; +} + +div.highlight { + background-color: #fff; +} + +dt:target, .highlight { + background: #FAF3E8; +} + +div.warning { + background-color: #FCC; + border: 1px solid #FAA; +} + +div.danger { + background-color: #FCC; + border: 1px solid #FAA; + -moz-box-shadow: 2px 2px 4px #D52C2C; + -webkit-box-shadow: 2px 2px 4px #D52C2C; + box-shadow: 2px 2px 4px #D52C2C; +} + +div.error { + background-color: #FCC; + border: 1px solid #FAA; + -moz-box-shadow: 2px 2px 4px #D52C2C; + -webkit-box-shadow: 2px 2px 4px #D52C2C; + box-shadow: 2px 2px 4px #D52C2C; +} + +div.caution { + background-color: #FCC; + border: 1px solid #FAA; +} + +div.attention { + background-color: #FCC; + border: 1px solid #FAA; +} + +div.important { + background-color: #EEE; + border: 1px solid #CCC; +} + +div.note { + background-color: #EEE; + border: 1px solid #CCC; +} + +div.tip { + background-color: #EEE; + border: 1px solid #CCC; +} + +div.hint { + background-color: #EEE; + border: 1px solid #CCC; +} + +div.seealso { + background-color: #EEE; + border: 1px solid #CCC; +} + +div.topic { + background-color: #EEE; +} + +p.admonition-title { + display: inline; +} + +p.admonition-title:after { + content: ":"; +} + +pre, tt, code { + font-family: 'Consolas', 'Menlo', 'DejaVu Sans Mono', 'Bitstream Vera Sans Mono', monospace; + font-size: 0.9em; +} + +.hll { + background-color: #FFC; + margin: 0 -12px; + padding: 0 12px; + display: block; +} + +img.screenshot { +} + +tt.descname, tt.descclassname, code.descname, code.descclassname { + font-size: 0.95em; +} + +tt.descname, code.descname { + padding-right: 0.08em; +} + +img.screenshot { + -moz-box-shadow: 2px 2px 4px #EEE; + -webkit-box-shadow: 2px 2px 4px #EEE; + box-shadow: 2px 2px 4px #EEE; +} + +table.docutils { + border: 1px solid #888; + -moz-box-shadow: 2px 2px 4px #EEE; + -webkit-box-shadow: 2px 2px 4px #EEE; + box-shadow: 2px 2px 4px #EEE; +} + +table.docutils td, table.docutils th { + border: 1px solid #888; + padding: 0.25em 0.7em; +} + +table.field-list, table.footnote { + border: none; + -moz-box-shadow: none; + -webkit-box-shadow: none; + box-shadow: none; +} + +table.footnote { + margin: 15px 0; + width: 100%; + border: 1px solid #EEE; + background: #FDFDFD; + font-size: 0.9em; +} + +table.footnote + table.footnote { + margin-top: -15px; + border-top: none; +} + +table.field-list th { + padding: 0 0.8em 0 0; +} + +table.field-list td { + padding: 0; +} + +table.field-list p { + margin-bottom: 0.8em; +} + +/* Cloned from + * https://github.com/sphinx-doc/sphinx/commit/ef60dbfce09286b20b7385333d63a60321784e68 + */ +.field-name { + -moz-hyphens: manual; + -ms-hyphens: manual; + -webkit-hyphens: manual; + hyphens: manual; +} + +table.footnote td.label { + width: .1px; + padding: 0.3em 0 0.3em 0.5em; +} + +table.footnote td { + padding: 0.3em 0.5em; +} + +dl { + margin-left: 0; + margin-right: 0; + margin-top: 0; + padding: 0; +} + +dl dd { + margin-left: 30px; +} + +blockquote { + margin: 0 0 0 30px; + padding: 0; +} + +ul, ol { + /* Matches the 30px from the narrow-screen "li > ul" selector below */ + margin: 10px 0 10px 30px; + padding: 0; +} + +pre { + background: #EEE; + padding: 7px 30px; + margin: 15px 0px; + line-height: 1.3em; +} + +div.viewcode-block:target { + background: #ffd; +} + +dl pre, blockquote pre, li pre { + margin-left: 0; + padding-left: 30px; +} + +tt, code { + background-color: #ecf0f3; + color: #222; + /* padding: 1px 2px; */ +} + +tt.xref, code.xref, a tt { + background-color: #FBFBFB; + border-bottom: 1px solid #fff; +} + +a.reference { + text-decoration: none; + border-bottom: 1px dotted #004B6B; +} + +/* Don't put an underline on images */ +a.image-reference, a.image-reference:hover { + border-bottom: none; +} + +a.reference:hover { + border-bottom: 1px solid #6D4100; +} + +a.footnote-reference { + text-decoration: none; + font-size: 0.7em; + vertical-align: top; + border-bottom: 1px dotted #004B6B; +} + +a.footnote-reference:hover { + border-bottom: 1px solid #6D4100; +} + +a:hover tt, a:hover code { + background: #EEE; +} + + +@media screen and (max-width: 870px) { + + div.sphinxsidebar { + display: none; + } + + div.document { + width: 100%; + + } + + div.documentwrapper { + margin-left: 0; + margin-top: 0; + margin-right: 0; + margin-bottom: 0; + } + + div.bodywrapper { + margin-top: 0; + margin-right: 0; + margin-bottom: 0; + margin-left: 0; + } + + ul { + margin-left: 0; + } + + li > ul { + /* Matches the 30px from the "ul, ol" selector above */ + margin-left: 30px; + } + + .document { + width: auto; + } + + .footer { + width: auto; + } + + .bodywrapper { + margin: 0; + } + + .footer { + width: auto; + } + + .github { + display: none; + } + + + +} + + + +@media screen and (max-width: 875px) { + + body { + margin: 0; + padding: 20px 30px; + } + + div.documentwrapper { + float: none; + background: #fff; + } + + div.sphinxsidebar { + display: block; + float: none; + width: 102.5%; + margin: 50px -30px -20px -30px; + padding: 10px 20px; + background: #333; + color: #FFF; + } + + div.sphinxsidebar h3, div.sphinxsidebar h4, div.sphinxsidebar p, + div.sphinxsidebar h3 a { + color: #fff; + } + + div.sphinxsidebar a { + color: #AAA; + } + + div.sphinxsidebar p.logo { + display: none; + } + + div.document { + width: 100%; + margin: 0; + } + + div.footer { + display: none; + } + + div.bodywrapper { + margin: 0; + } + + div.body { + min-height: 0; + padding: 0; + } + + .rtd_doc_footer { + display: none; + } + + .document { + width: auto; + } + + .footer { + width: auto; + } + + .footer { + width: auto; + } + + .github { + display: none; + } +} + + +/* misc. */ + +.revsys-inline { + display: none!important; +} + +/* Make nested-list/multi-paragraph items look better in Releases changelog + * pages. Without this, docutils' magical list fuckery causes inconsistent + * formatting between different release sub-lists. + */ +div#changelog > div.section > ul > li > p:only-child { + margin-bottom: 0; +} + +/* Hide fugly table cell borders in ..bibliography:: directive output */ +table.docutils.citation, table.docutils.citation td, table.docutils.citation th { + border: none; + /* Below needed in some edge cases; if not applied, bottom shadows appear */ + -moz-box-shadow: none; + -webkit-box-shadow: none; + box-shadow: none; +} + + +/* relbar */ + +.related { + line-height: 30px; + width: 100%; + font-size: 0.9rem; +} + +.related.top { + border-bottom: 1px solid #EEE; + margin-bottom: 20px; +} + +.related.bottom { + border-top: 1px solid #EEE; +} + +.related ul { + padding: 0; + margin: 0; + list-style: none; +} + +.related li { + display: inline; +} + +nav#rellinks { + float: right; +} + +nav#rellinks li+li:before { + content: "|"; +} + +nav#breadcrumbs li+li:before { + content: "\00BB"; +} + +/* Hide certain items when printing */ +@media print { + div.related { + display: none; + } +} \ No newline at end of file diff --git a/manual/v2.0.5/en/_static/basic.css b/manual/v2.0.5/en/_static/basic.css new file mode 100644 index 00000000..cfc60b86 --- /dev/null +++ b/manual/v2.0.5/en/_static/basic.css @@ -0,0 +1,921 @@ +/* + * basic.css + * ~~~~~~~~~ + * + * Sphinx stylesheet -- basic theme. + * + * :copyright: Copyright 2007-2023 by the Sphinx team, see AUTHORS. + * :license: BSD, see LICENSE for details. + * + */ + +/* -- main layout ----------------------------------------------------------- */ + +div.clearer { + clear: both; +} + +div.section::after { + display: block; + content: ''; + clear: left; +} + +/* -- relbar ---------------------------------------------------------------- */ + +div.related { + width: 100%; + font-size: 90%; +} + +div.related h3 { + display: none; +} + +div.related ul { + margin: 0; + padding: 0 0 0 10px; + list-style: none; +} + +div.related li { + display: inline; +} + +div.related li.right { + float: right; + margin-right: 5px; +} + +/* -- sidebar --------------------------------------------------------------- */ + +div.sphinxsidebarwrapper { + padding: 10px 5px 0 10px; +} + +div.sphinxsidebar { + float: left; + width: 230px; + margin-left: -100%; + font-size: 90%; + word-wrap: break-word; + overflow-wrap : break-word; +} + +div.sphinxsidebar ul { + list-style: none; +} + +div.sphinxsidebar ul ul, +div.sphinxsidebar ul.want-points { + margin-left: 20px; + list-style: square; +} + +div.sphinxsidebar ul ul { + margin-top: 0; + margin-bottom: 0; +} + +div.sphinxsidebar form { + margin-top: 10px; +} + +div.sphinxsidebar input { + border: 1px solid #98dbcc; + font-family: sans-serif; + font-size: 1em; +} + +div.sphinxsidebar #searchbox form.search { + overflow: hidden; +} + +div.sphinxsidebar #searchbox input[type="text"] { + float: left; + width: 80%; + padding: 0.25em; + box-sizing: border-box; +} + +div.sphinxsidebar #searchbox input[type="submit"] { + float: left; + width: 20%; + border-left: none; + padding: 0.25em; + box-sizing: border-box; +} + + +img { + border: 0; + max-width: 100%; +} + +/* -- search page ----------------------------------------------------------- */ + +ul.search { + margin: 10px 0 0 20px; + padding: 0; +} + +ul.search li { + padding: 5px 0 5px 20px; + background-image: url(file.png); + background-repeat: no-repeat; + background-position: 0 7px; +} + +ul.search li a { + font-weight: bold; +} + +ul.search li p.context { + color: #888; + margin: 2px 0 0 30px; + text-align: left; +} + +ul.keywordmatches li.goodmatch a { + font-weight: bold; +} + +/* -- index page ------------------------------------------------------------ */ + +table.contentstable { + width: 90%; + margin-left: auto; + margin-right: auto; +} + +table.contentstable p.biglink { + line-height: 150%; +} + +a.biglink { + font-size: 1.3em; +} + +span.linkdescr { + font-style: italic; + padding-top: 5px; + font-size: 90%; +} + +/* -- general index --------------------------------------------------------- */ + +table.indextable { + width: 100%; +} + +table.indextable td { + text-align: left; + vertical-align: top; +} + +table.indextable ul { + margin-top: 0; + margin-bottom: 0; + list-style-type: none; +} + +table.indextable > tbody > tr > td > ul { + padding-left: 0em; +} + +table.indextable tr.pcap { + height: 10px; +} + +table.indextable tr.cap { + margin-top: 10px; + background-color: #f2f2f2; +} + +img.toggler { + margin-right: 3px; + margin-top: 3px; + cursor: pointer; +} + +div.modindex-jumpbox { + border-top: 1px solid #ddd; + border-bottom: 1px solid #ddd; + margin: 1em 0 1em 0; + padding: 0.4em; +} + +div.genindex-jumpbox { + border-top: 1px solid #ddd; + border-bottom: 1px solid #ddd; + margin: 1em 0 1em 0; + padding: 0.4em; +} + +/* -- domain module index --------------------------------------------------- */ + +table.modindextable td { + padding: 2px; + border-collapse: collapse; +} + +/* -- general body styles --------------------------------------------------- */ + +div.body { + min-width: 360px; + max-width: 800px; +} + +div.body p, div.body dd, div.body li, div.body blockquote { + -moz-hyphens: auto; + -ms-hyphens: auto; + -webkit-hyphens: auto; + hyphens: auto; +} + +a.headerlink { + visibility: hidden; +} + +h1:hover > a.headerlink, +h2:hover > a.headerlink, +h3:hover > a.headerlink, +h4:hover > a.headerlink, +h5:hover > a.headerlink, +h6:hover > a.headerlink, +dt:hover > a.headerlink, +caption:hover > a.headerlink, +p.caption:hover > a.headerlink, +div.code-block-caption:hover > a.headerlink { + visibility: visible; +} + +div.body p.caption { + text-align: inherit; +} + +div.body td { + text-align: left; +} + +.first { + margin-top: 0 !important; +} + +p.rubric { + margin-top: 30px; + font-weight: bold; +} + +img.align-left, figure.align-left, .figure.align-left, object.align-left { + clear: left; + float: left; + margin-right: 1em; +} + +img.align-right, figure.align-right, .figure.align-right, object.align-right { + clear: right; + float: right; + margin-left: 1em; +} + +img.align-center, figure.align-center, .figure.align-center, object.align-center { + display: block; + margin-left: auto; + margin-right: auto; +} + +img.align-default, figure.align-default, .figure.align-default { + display: block; + margin-left: auto; + margin-right: auto; +} + +.align-left { + text-align: left; +} + +.align-center { + text-align: center; +} + +.align-default { + text-align: center; +} + +.align-right { + text-align: right; +} + +/* -- sidebars -------------------------------------------------------------- */ + +div.sidebar, +aside.sidebar { + margin: 0 0 0.5em 1em; + border: 1px solid #ddb; + padding: 7px; + background-color: #ffe; + width: 40%; + float: right; + clear: right; + overflow-x: auto; +} + +p.sidebar-title { + font-weight: bold; +} + +nav.contents, +aside.topic, +div.admonition, div.topic, blockquote { + clear: left; +} + +/* -- topics ---------------------------------------------------------------- */ + +nav.contents, +aside.topic, +div.topic { + border: 1px solid #ccc; + padding: 7px; + margin: 10px 0 10px 0; +} + +p.topic-title { + font-size: 1.1em; + font-weight: bold; + margin-top: 10px; +} + +/* -- admonitions ----------------------------------------------------------- */ + +div.admonition { + margin-top: 10px; + margin-bottom: 10px; + padding: 7px; +} + +div.admonition dt { + font-weight: bold; +} + +p.admonition-title { + margin: 0px 10px 5px 0px; + font-weight: bold; +} + +div.body p.centered { + text-align: center; + margin-top: 25px; +} + +/* -- content of sidebars/topics/admonitions -------------------------------- */ + +div.sidebar > :last-child, +aside.sidebar > :last-child, +nav.contents > :last-child, +aside.topic > :last-child, +div.topic > :last-child, +div.admonition > :last-child { + margin-bottom: 0; +} + +div.sidebar::after, +aside.sidebar::after, +nav.contents::after, +aside.topic::after, +div.topic::after, +div.admonition::after, +blockquote::after { + display: block; + content: ''; + clear: both; +} + +/* -- tables ---------------------------------------------------------------- */ + +table.docutils { + margin-top: 10px; + margin-bottom: 10px; + border: 0; + border-collapse: collapse; +} + +table.align-center { + margin-left: auto; + margin-right: auto; +} + +table.align-default { + margin-left: auto; + margin-right: auto; +} + +table caption span.caption-number { + font-style: italic; +} + +table caption span.caption-text { +} + +table.docutils td, table.docutils th { + padding: 1px 8px 1px 5px; + border-top: 0; + border-left: 0; + border-right: 0; + border-bottom: 1px solid #aaa; +} + +th { + text-align: left; + padding-right: 5px; +} + +table.citation { + border-left: solid 1px gray; + margin-left: 1px; +} + +table.citation td { + border-bottom: none; +} + +th > :first-child, +td > :first-child { + margin-top: 0px; +} + +th > :last-child, +td > :last-child { + margin-bottom: 0px; +} + +/* -- figures --------------------------------------------------------------- */ + +div.figure, figure { + margin: 0.5em; + padding: 0.5em; +} + +div.figure p.caption, figcaption { + padding: 0.3em; +} + +div.figure p.caption span.caption-number, +figcaption span.caption-number { + font-style: italic; +} + +div.figure p.caption span.caption-text, +figcaption span.caption-text { +} + +/* -- field list styles ----------------------------------------------------- */ + +table.field-list td, table.field-list th { + border: 0 !important; +} + +.field-list ul { + margin: 0; + padding-left: 1em; +} + +.field-list p { + margin: 0; +} + +.field-name { + -moz-hyphens: manual; + -ms-hyphens: manual; + -webkit-hyphens: manual; + hyphens: manual; +} + +/* -- hlist styles ---------------------------------------------------------- */ + +table.hlist { + margin: 1em 0; +} + +table.hlist td { + vertical-align: top; +} + +/* -- object description styles --------------------------------------------- */ + +.sig { + font-family: 'Consolas', 'Menlo', 'DejaVu Sans Mono', 'Bitstream Vera Sans Mono', monospace; +} + +.sig-name, code.descname { + background-color: transparent; + font-weight: bold; +} + +.sig-name { + font-size: 1.1em; +} + +code.descname { + font-size: 1.2em; +} + +.sig-prename, code.descclassname { + background-color: transparent; +} + +.optional { + font-size: 1.3em; +} + +.sig-paren { + font-size: larger; +} + +.sig-param.n { + font-style: italic; +} + +/* C++ specific styling */ + +.sig-inline.c-texpr, +.sig-inline.cpp-texpr { + font-family: unset; +} + +.sig.c .k, .sig.c .kt, +.sig.cpp .k, .sig.cpp .kt { + color: #0033B3; +} + +.sig.c .m, +.sig.cpp .m { + color: #1750EB; +} + +.sig.c .s, .sig.c .sc, +.sig.cpp .s, .sig.cpp .sc { + color: #067D17; +} + + +/* -- other body styles ----------------------------------------------------- */ + +ol.arabic { + list-style: decimal; +} + +ol.loweralpha { + list-style: lower-alpha; +} + +ol.upperalpha { + list-style: upper-alpha; +} + +ol.lowerroman { + list-style: lower-roman; +} + +ol.upperroman { + list-style: upper-roman; +} + +:not(li) > ol > li:first-child > :first-child, +:not(li) > ul > li:first-child > :first-child { + margin-top: 0px; +} + +:not(li) > ol > li:last-child > :last-child, +:not(li) > ul > li:last-child > :last-child { + margin-bottom: 0px; +} + +ol.simple ol p, +ol.simple ul p, +ul.simple ol p, +ul.simple ul p { + margin-top: 0; +} + +ol.simple > li:not(:first-child) > p, +ul.simple > li:not(:first-child) > p { + margin-top: 0; +} + +ol.simple p, +ul.simple p { + margin-bottom: 0; +} + +aside.footnote > span, +div.citation > span { + float: left; +} +aside.footnote > span:last-of-type, +div.citation > span:last-of-type { + padding-right: 0.5em; +} +aside.footnote > p { + margin-left: 2em; +} +div.citation > p { + margin-left: 4em; +} +aside.footnote > p:last-of-type, +div.citation > p:last-of-type { + margin-bottom: 0em; +} +aside.footnote > p:last-of-type:after, +div.citation > p:last-of-type:after { + content: ""; + clear: both; +} + +dl.field-list { + display: grid; + grid-template-columns: fit-content(30%) auto; +} + +dl.field-list > dt { + font-weight: bold; + word-break: break-word; + padding-left: 0.5em; + padding-right: 5px; +} + +dl.field-list > dd { + padding-left: 0.5em; + margin-top: 0em; + margin-left: 0em; + margin-bottom: 0em; +} + +dl { + margin-bottom: 15px; +} + +dd > :first-child { + margin-top: 0px; +} + +dd ul, dd table { + margin-bottom: 10px; +} + +dd { + margin-top: 3px; + margin-bottom: 10px; + margin-left: 30px; +} + +.sig dd { + margin-top: 0px; + margin-bottom: 0px; +} + +.sig dl { + margin-top: 0px; + margin-bottom: 0px; +} + +dl > dd:last-child, +dl > dd:last-child > :last-child { + margin-bottom: 0; +} + +dt:target, span.highlighted { + background-color: #fbe54e; +} + +rect.highlighted { + fill: #fbe54e; +} + +dl.glossary dt { + font-weight: bold; + font-size: 1.1em; +} + +.versionmodified { + font-style: italic; +} + +.system-message { + background-color: #fda; + padding: 5px; + border: 3px solid red; +} + +.footnote:target { + background-color: #ffa; +} + +.line-block { + display: block; + margin-top: 1em; + margin-bottom: 1em; +} + +.line-block .line-block { + margin-top: 0; + margin-bottom: 0; + margin-left: 1.5em; +} + +.guilabel, .menuselection { + font-family: sans-serif; +} + +.accelerator { + text-decoration: underline; +} + +.classifier { + font-style: oblique; +} + +.classifier:before { + font-style: normal; + margin: 0 0.5em; + content: ":"; + display: inline-block; +} + +abbr, acronym { + border-bottom: dotted 1px; + cursor: help; +} + +.translated { + background-color: rgba(207, 255, 207, 0.2) +} + +.untranslated { + background-color: rgba(255, 207, 207, 0.2) +} + +/* -- code displays --------------------------------------------------------- */ + +pre { + overflow: auto; + overflow-y: hidden; /* fixes display issues on Chrome browsers */ +} + +pre, div[class*="highlight-"] { + clear: both; +} + +span.pre { + -moz-hyphens: none; + -ms-hyphens: none; + -webkit-hyphens: none; + hyphens: none; + white-space: nowrap; +} + +div[class*="highlight-"] { + margin: 1em 0; +} + +td.linenos pre { + border: 0; + background-color: transparent; + color: #aaa; +} + +table.highlighttable { + display: block; +} + +table.highlighttable tbody { + display: block; +} + +table.highlighttable tr { + display: flex; +} + +table.highlighttable td { + margin: 0; + padding: 0; +} + +table.highlighttable td.linenos { + padding-right: 0.5em; +} + +table.highlighttable td.code { + flex: 1; + overflow: hidden; +} + +.highlight .hll { + display: block; +} + +div.highlight pre, +table.highlighttable pre { + margin: 0; +} + +div.code-block-caption + div { + margin-top: 0; +} + +div.code-block-caption { + margin-top: 1em; + padding: 2px 5px; + font-size: small; +} + +div.code-block-caption code { + background-color: transparent; +} + +table.highlighttable td.linenos, +span.linenos, +div.highlight span.gp { /* gp: Generic.Prompt */ + user-select: none; + -webkit-user-select: text; /* Safari fallback only */ + -webkit-user-select: none; /* Chrome/Safari */ + -moz-user-select: none; /* Firefox */ + -ms-user-select: none; /* IE10+ */ +} + +div.code-block-caption span.caption-number { + padding: 0.1em 0.3em; + font-style: italic; +} + +div.code-block-caption span.caption-text { +} + +div.literal-block-wrapper { + margin: 1em 0; +} + +code.xref, a code { + background-color: transparent; + font-weight: bold; +} + +h1 code, h2 code, h3 code, h4 code, h5 code, h6 code { + background-color: transparent; +} + +.viewcode-link { + float: right; +} + +.viewcode-back { + float: right; + font-family: sans-serif; +} + +div.viewcode-block:target { + margin: -1px -10px; + padding: 0 10px; +} + +/* -- math display ---------------------------------------------------------- */ + +img.math { + vertical-align: middle; +} + +div.body div.math p { + text-align: center; +} + +span.eqno { + float: right; +} + +span.eqno a.headerlink { + position: absolute; + z-index: 1; +} + +div.math:hover a.headerlink { + visibility: visible; +} + +/* -- printout stylesheet --------------------------------------------------- */ + +@media print { + div.document, + div.documentwrapper, + div.bodywrapper { + margin: 0 !important; + width: 100%; + } + + div.sphinxsidebar, + div.related, + div.footer, + #top-link { + display: none; + } +} \ No newline at end of file diff --git a/manual/v2.0.5/en/_static/custom.css b/manual/v2.0.5/en/_static/custom.css new file mode 100644 index 00000000..2a924f1d --- /dev/null +++ b/manual/v2.0.5/en/_static/custom.css @@ -0,0 +1 @@ +/* This file intentionally left blank. */ diff --git a/manual/v2.0.5/en/_static/doctools.js b/manual/v2.0.5/en/_static/doctools.js new file mode 100644 index 00000000..d06a71d7 --- /dev/null +++ b/manual/v2.0.5/en/_static/doctools.js @@ -0,0 +1,156 @@ +/* + * doctools.js + * ~~~~~~~~~~~ + * + * Base JavaScript utilities for all Sphinx HTML documentation. + * + * :copyright: Copyright 2007-2023 by the Sphinx team, see AUTHORS. + * :license: BSD, see LICENSE for details. + * + */ +"use strict"; + +const BLACKLISTED_KEY_CONTROL_ELEMENTS = new Set([ + "TEXTAREA", + "INPUT", + "SELECT", + "BUTTON", +]); + +const _ready = (callback) => { + if (document.readyState !== "loading") { + callback(); + } else { + document.addEventListener("DOMContentLoaded", callback); + } +}; + +/** + * Small JavaScript module for the documentation. + */ +const Documentation = { + init: () => { + Documentation.initDomainIndexTable(); + Documentation.initOnKeyListeners(); + }, + + /** + * i18n support + */ + TRANSLATIONS: {}, + PLURAL_EXPR: (n) => (n === 1 ? 0 : 1), + LOCALE: "unknown", + + // gettext and ngettext don't access this so that the functions + // can safely bound to a different name (_ = Documentation.gettext) + gettext: (string) => { + const translated = Documentation.TRANSLATIONS[string]; + switch (typeof translated) { + case "undefined": + return string; // no translation + case "string": + return translated; // translation exists + default: + return translated[0]; // (singular, plural) translation tuple exists + } + }, + + ngettext: (singular, plural, n) => { + const translated = Documentation.TRANSLATIONS[singular]; + if (typeof translated !== "undefined") + return translated[Documentation.PLURAL_EXPR(n)]; + return n === 1 ? singular : plural; + }, + + addTranslations: (catalog) => { + Object.assign(Documentation.TRANSLATIONS, catalog.messages); + Documentation.PLURAL_EXPR = new Function( + "n", + `return (${catalog.plural_expr})` + ); + Documentation.LOCALE = catalog.locale; + }, + + /** + * helper function to focus on search bar + */ + focusSearchBar: () => { + document.querySelectorAll("input[name=q]")[0]?.focus(); + }, + + /** + * Initialise the domain index toggle buttons + */ + initDomainIndexTable: () => { + const toggler = (el) => { + const idNumber = el.id.substr(7); + const toggledRows = document.querySelectorAll(`tr.cg-${idNumber}`); + if (el.src.substr(-9) === "minus.png") { + el.src = `${el.src.substr(0, el.src.length - 9)}plus.png`; + toggledRows.forEach((el) => (el.style.display = "none")); + } else { + el.src = `${el.src.substr(0, el.src.length - 8)}minus.png`; + toggledRows.forEach((el) => (el.style.display = "")); + } + }; + + const togglerElements = document.querySelectorAll("img.toggler"); + togglerElements.forEach((el) => + el.addEventListener("click", (event) => toggler(event.currentTarget)) + ); + togglerElements.forEach((el) => (el.style.display = "")); + if (DOCUMENTATION_OPTIONS.COLLAPSE_INDEX) togglerElements.forEach(toggler); + }, + + initOnKeyListeners: () => { + // only install a listener if it is really needed + if ( + !DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS && + !DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS + ) + return; + + document.addEventListener("keydown", (event) => { + // bail for input elements + if (BLACKLISTED_KEY_CONTROL_ELEMENTS.has(document.activeElement.tagName)) return; + // bail with special keys + if (event.altKey || event.ctrlKey || event.metaKey) return; + + if (!event.shiftKey) { + switch (event.key) { + case "ArrowLeft": + if (!DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS) break; + + const prevLink = document.querySelector('link[rel="prev"]'); + if (prevLink && prevLink.href) { + window.location.href = prevLink.href; + event.preventDefault(); + } + break; + case "ArrowRight": + if (!DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS) break; + + const nextLink = document.querySelector('link[rel="next"]'); + if (nextLink && nextLink.href) { + window.location.href = nextLink.href; + event.preventDefault(); + } + break; + } + } + + // some keyboard layouts may need Shift to get / + switch (event.key) { + case "/": + if (!DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS) break; + Documentation.focusSearchBar(); + event.preventDefault(); + } + }); + }, +}; + +// quick alias for translations +const _ = Documentation.gettext; + +_ready(Documentation.init); diff --git a/manual/v2.0.5/en/_static/documentation_options.js b/manual/v2.0.5/en/_static/documentation_options.js new file mode 100644 index 00000000..eedfa455 --- /dev/null +++ b/manual/v2.0.5/en/_static/documentation_options.js @@ -0,0 +1,14 @@ +var DOCUMENTATION_OPTIONS = { + URL_ROOT: document.getElementById("documentation_options").getAttribute('data-url_root'), + VERSION: '2.0.5', + LANGUAGE: 'en', + COLLAPSE_INDEX: false, + BUILDER: 'html', + FILE_SUFFIX: '.html', + LINK_SUFFIX: '.html', + HAS_SOURCE: true, + SOURCELINK_SUFFIX: '.txt', + NAVIGATION_WITH_KEYS: false, + SHOW_SEARCH_SUMMARY: true, + ENABLE_SEARCH_SHORTCUTS: true, +}; \ No newline at end of file diff --git a/manual/v2.0.5/en/_static/file.png b/manual/v2.0.5/en/_static/file.png new file mode 100644 index 0000000000000000000000000000000000000000..a858a410e4faa62ce324d814e4b816fff83a6fb3 GIT binary patch literal 286 zcmV+(0pb3MP)s`hMrGg#P~ix$^RISR_I47Y|r1 z_CyJOe}D1){SET-^Amu_i71Lt6eYfZjRyw@I6OQAIXXHDfiX^GbOlHe=Ae4>0m)d(f|Me07*qoM6N<$f}vM^LjV8( literal 0 HcmV?d00001 diff --git a/manual/v2.0.5/en/_static/language_data.js b/manual/v2.0.5/en/_static/language_data.js new file mode 100644 index 00000000..250f5665 --- /dev/null +++ b/manual/v2.0.5/en/_static/language_data.js @@ -0,0 +1,199 @@ +/* + * language_data.js + * ~~~~~~~~~~~~~~~~ + * + * This script contains the language-specific data used by searchtools.js, + * namely the list of stopwords, stemmer, scorer and splitter. + * + * :copyright: Copyright 2007-2023 by the Sphinx team, see AUTHORS. + * :license: BSD, see LICENSE for details. + * + */ + +var stopwords = ["a", "and", "are", "as", "at", "be", "but", "by", "for", "if", "in", "into", "is", "it", "near", "no", "not", "of", "on", "or", "such", "that", "the", "their", "then", "there", "these", "they", "this", "to", "was", "will", "with"]; + + +/* Non-minified version is copied as a separate JS file, is available */ + +/** + * Porter Stemmer + */ +var Stemmer = function() { + + var step2list = { + ational: 'ate', + tional: 'tion', + enci: 'ence', + anci: 'ance', + izer: 'ize', + bli: 'ble', + alli: 'al', + entli: 'ent', + eli: 'e', + ousli: 'ous', + ization: 'ize', + ation: 'ate', + ator: 'ate', + alism: 'al', + iveness: 'ive', + fulness: 'ful', + ousness: 'ous', + aliti: 'al', + iviti: 'ive', + biliti: 'ble', + logi: 'log' + }; + + var step3list = { + icate: 'ic', + ative: '', + alize: 'al', + iciti: 'ic', + ical: 'ic', + ful: '', + ness: '' + }; + + var c = "[^aeiou]"; // consonant + var v = "[aeiouy]"; // vowel + var C = c + "[^aeiouy]*"; // consonant sequence + var V = v + "[aeiou]*"; // vowel sequence + + var mgr0 = "^(" + C + ")?" + V + C; // [C]VC... is m>0 + var meq1 = "^(" + C + ")?" + V + C + "(" + V + ")?$"; // [C]VC[V] is m=1 + var mgr1 = "^(" + C + ")?" + V + C + V + C; // [C]VCVC... is m>1 + var s_v = "^(" + C + ")?" + v; // vowel in stem + + this.stemWord = function (w) { + var stem; + var suffix; + var firstch; + var origword = w; + + if (w.length < 3) + return w; + + var re; + var re2; + var re3; + var re4; + + firstch = w.substr(0,1); + if (firstch == "y") + w = firstch.toUpperCase() + w.substr(1); + + // Step 1a + re = /^(.+?)(ss|i)es$/; + re2 = /^(.+?)([^s])s$/; + + if (re.test(w)) + w = w.replace(re,"$1$2"); + else if (re2.test(w)) + w = w.replace(re2,"$1$2"); + + // Step 1b + re = /^(.+?)eed$/; + re2 = /^(.+?)(ed|ing)$/; + if (re.test(w)) { + var fp = re.exec(w); + re = new RegExp(mgr0); + if (re.test(fp[1])) { + re = /.$/; + w = w.replace(re,""); + } + } + else if (re2.test(w)) { + var fp = re2.exec(w); + stem = fp[1]; + re2 = new RegExp(s_v); + if (re2.test(stem)) { + w = stem; + re2 = /(at|bl|iz)$/; + re3 = new RegExp("([^aeiouylsz])\\1$"); + re4 = new RegExp("^" + C + v + "[^aeiouwxy]$"); + if (re2.test(w)) + w = w + "e"; + else if (re3.test(w)) { + re = /.$/; + w = w.replace(re,""); + } + else if (re4.test(w)) + w = w + "e"; + } + } + + // Step 1c + re = /^(.+?)y$/; + if (re.test(w)) { + var fp = re.exec(w); + stem = fp[1]; + re = new RegExp(s_v); + if (re.test(stem)) + w = stem + "i"; + } + + // Step 2 + re = /^(.+?)(ational|tional|enci|anci|izer|bli|alli|entli|eli|ousli|ization|ation|ator|alism|iveness|fulness|ousness|aliti|iviti|biliti|logi)$/; + if (re.test(w)) { + var fp = re.exec(w); + stem = fp[1]; + suffix = fp[2]; + re = new RegExp(mgr0); + if (re.test(stem)) + w = stem + step2list[suffix]; + } + + // Step 3 + re = /^(.+?)(icate|ative|alize|iciti|ical|ful|ness)$/; + if (re.test(w)) { + var fp = re.exec(w); + stem = fp[1]; + suffix = fp[2]; + re = new RegExp(mgr0); + if (re.test(stem)) + w = stem + step3list[suffix]; + } + + // Step 4 + re = /^(.+?)(al|ance|ence|er|ic|able|ible|ant|ement|ment|ent|ou|ism|ate|iti|ous|ive|ize)$/; + re2 = /^(.+?)(s|t)(ion)$/; + if (re.test(w)) { + var fp = re.exec(w); + stem = fp[1]; + re = new RegExp(mgr1); + if (re.test(stem)) + w = stem; + } + else if (re2.test(w)) { + var fp = re2.exec(w); + stem = fp[1] + fp[2]; + re2 = new RegExp(mgr1); + if (re2.test(stem)) + w = stem; + } + + // Step 5 + re = /^(.+?)e$/; + if (re.test(w)) { + var fp = re.exec(w); + stem = fp[1]; + re = new RegExp(mgr1); + re2 = new RegExp(meq1); + re3 = new RegExp("^" + C + v + "[^aeiouwxy]$"); + if (re.test(stem) || (re2.test(stem) && !(re3.test(stem)))) + w = stem; + } + re = /ll$/; + re2 = new RegExp(mgr1); + if (re.test(w) && re2.test(w)) { + re = /.$/; + w = w.replace(re,""); + } + + // and turn initial Y back to y + if (firstch == "y") + w = firstch.toLowerCase() + w.substr(1); + return w; + } +} + diff --git a/manual/v2.0.5/en/_static/minus.png b/manual/v2.0.5/en/_static/minus.png new file mode 100644 index 0000000000000000000000000000000000000000..d96755fdaf8bb2214971e0db9c1fd3077d7c419d GIT binary patch literal 90 zcmeAS@N?(olHy`uVBq!ia0vp^+#t*WBp7;*Yy1LIik>cxAr*|t7R?Mi>2?kWtu=nj kDsEF_5m^0CR;1wuP-*O&G^0G}KYk!hp00i_>zopr08q^qX#fBK literal 0 HcmV?d00001 diff --git a/manual/v2.0.5/en/_static/plus.png b/manual/v2.0.5/en/_static/plus.png new file mode 100644 index 0000000000000000000000000000000000000000..7107cec93a979b9a5f64843235a16651d563ce2d GIT binary patch literal 90 zcmeAS@N?(olHy`uVBq!ia0vp^+#t*WBp7;*Yy1LIik>cxAr*|t7R?Mi>2?kWtu>-2 m3q%Vub%g%s<8sJhVPMczOq}xhg9DJoz~JfX=d#Wzp$Pyb1r*Kz literal 0 HcmV?d00001 diff --git a/manual/v2.0.5/en/_static/pygments.css b/manual/v2.0.5/en/_static/pygments.css new file mode 100644 index 00000000..0d49244e --- /dev/null +++ b/manual/v2.0.5/en/_static/pygments.css @@ -0,0 +1,75 @@ +pre { line-height: 125%; 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+ +/** + * Simple result scoring code. + */ +if (typeof Scorer === "undefined") { + var Scorer = { + // Implement the following function to further tweak the score for each result + // The function takes a result array [docname, title, anchor, descr, score, filename] + // and returns the new score. + /* + score: result => { + const [docname, title, anchor, descr, score, filename] = result + return score + }, + */ + + // query matches the full name of an object + objNameMatch: 11, + // or matches in the last dotted part of the object name + objPartialMatch: 6, + // Additive scores depending on the priority of the object + objPrio: { + 0: 15, // used to be importantResults + 1: 5, // used to be objectResults + 2: -5, // used to be unimportantResults + }, + // Used when the priority is not in the mapping. + objPrioDefault: 0, + + // query found in title + title: 15, + partialTitle: 7, + // query found in terms + term: 5, + partialTerm: 2, + }; +} + +const _removeChildren = (element) => { + while (element && element.lastChild) element.removeChild(element.lastChild); +}; + +/** + * See https://developer.mozilla.org/en-US/docs/Web/JavaScript/Guide/Regular_Expressions#escaping + */ +const _escapeRegExp = (string) => + string.replace(/[.*+\-?^${}()|[\]\\]/g, "\\$&"); // $& means the whole matched string + +const _displayItem = (item, searchTerms) => { + const docBuilder = DOCUMENTATION_OPTIONS.BUILDER; + const docUrlRoot = DOCUMENTATION_OPTIONS.URL_ROOT; + const docFileSuffix = DOCUMENTATION_OPTIONS.FILE_SUFFIX; + const docLinkSuffix = DOCUMENTATION_OPTIONS.LINK_SUFFIX; + const showSearchSummary = DOCUMENTATION_OPTIONS.SHOW_SEARCH_SUMMARY; + + const [docName, title, anchor, descr, score, _filename] = item; + + let listItem = document.createElement("li"); + let requestUrl; + let linkUrl; + if (docBuilder === "dirhtml") { + // dirhtml builder + let dirname = docName + "/"; + if (dirname.match(/\/index\/$/)) + dirname = dirname.substring(0, dirname.length - 6); + else if (dirname === "index/") dirname = ""; + requestUrl = docUrlRoot + dirname; + linkUrl = requestUrl; + } else { + // normal html builders + requestUrl = docUrlRoot + docName + docFileSuffix; + linkUrl = docName + docLinkSuffix; + } + let linkEl = listItem.appendChild(document.createElement("a")); + linkEl.href = linkUrl + anchor; + linkEl.dataset.score = score; + linkEl.innerHTML = title; + if (descr) + listItem.appendChild(document.createElement("span")).innerHTML = + " (" + descr + ")"; + else if (showSearchSummary) + fetch(requestUrl) + .then((responseData) => responseData.text()) + .then((data) => { + if (data) + listItem.appendChild( + Search.makeSearchSummary(data, searchTerms) + ); + }); + Search.output.appendChild(listItem); +}; +const _finishSearch = (resultCount) => { + Search.stopPulse(); + Search.title.innerText = _("Search Results"); + if (!resultCount) + Search.status.innerText = Documentation.gettext( + "Your search did not match any documents. Please make sure that all words are spelled correctly and that you've selected enough categories." + ); + else + Search.status.innerText = _( + `Search finished, found ${resultCount} page(s) matching the search query.` + ); +}; +const _displayNextItem = ( + results, + resultCount, + searchTerms +) => { + // results left, load the summary and display it + // this is intended to be dynamic (don't sub resultsCount) + if (results.length) { + _displayItem(results.pop(), searchTerms); + setTimeout( + () => _displayNextItem(results, resultCount, searchTerms), + 5 + ); + } + // search finished, update title and status message + else _finishSearch(resultCount); +}; + +/** + * Default splitQuery function. Can be overridden in ``sphinx.search`` with a + * custom function per language. + * + * The regular expression works by splitting the string on consecutive characters + * that are not Unicode letters, numbers, underscores, or emoji characters. + * This is the same as ``\W+`` in Python, preserving the surrogate pair area. + */ +if (typeof splitQuery === "undefined") { + var splitQuery = (query) => query + .split(/[^\p{Letter}\p{Number}_\p{Emoji_Presentation}]+/gu) + .filter(term => term) // remove remaining empty strings +} + +/** + * Search Module + */ +const Search = { + _index: null, + _queued_query: null, + _pulse_status: -1, + + htmlToText: (htmlString) => { + const htmlElement = new DOMParser().parseFromString(htmlString, 'text/html'); + htmlElement.querySelectorAll(".headerlink").forEach((el) => { el.remove() }); + const docContent = htmlElement.querySelector('[role="main"]'); + if (docContent !== undefined) return docContent.textContent; + console.warn( + "Content block not found. Sphinx search tries to obtain it via '[role=main]'. Could you check your theme or template." + ); + return ""; + }, + + init: () => { + const query = new URLSearchParams(window.location.search).get("q"); + document + .querySelectorAll('input[name="q"]') + .forEach((el) => (el.value = query)); + if (query) Search.performSearch(query); + }, + + loadIndex: (url) => + (document.body.appendChild(document.createElement("script")).src = url), + + setIndex: (index) => { + Search._index = index; + if (Search._queued_query !== null) { + const query = Search._queued_query; + Search._queued_query = null; + Search.query(query); + } + }, + + hasIndex: () => Search._index !== null, + + deferQuery: (query) => (Search._queued_query = query), + + stopPulse: () => (Search._pulse_status = -1), + + startPulse: () => { + if (Search._pulse_status >= 0) return; + + const pulse = () => { + Search._pulse_status = (Search._pulse_status + 1) % 4; + Search.dots.innerText = ".".repeat(Search._pulse_status); + if (Search._pulse_status >= 0) window.setTimeout(pulse, 500); + }; + pulse(); + }, + + /** + * perform a search for something (or wait until index is loaded) + */ + performSearch: (query) => { + // create the required interface elements + const searchText = document.createElement("h2"); + searchText.textContent = _("Searching"); + const searchSummary = document.createElement("p"); + searchSummary.classList.add("search-summary"); + searchSummary.innerText = ""; + const searchList = document.createElement("ul"); + searchList.classList.add("search"); + + const out = document.getElementById("search-results"); + Search.title = out.appendChild(searchText); + Search.dots = Search.title.appendChild(document.createElement("span")); + Search.status = out.appendChild(searchSummary); + Search.output = out.appendChild(searchList); + + const searchProgress = document.getElementById("search-progress"); + // Some themes don't use the search progress node + if (searchProgress) { + searchProgress.innerText = _("Preparing search..."); + } + Search.startPulse(); + + // index already loaded, the browser was quick! + if (Search.hasIndex()) Search.query(query); + else Search.deferQuery(query); + }, + + /** + * execute search (requires search index to be loaded) + */ + query: (query) => { + const filenames = Search._index.filenames; + const docNames = Search._index.docnames; + const titles = Search._index.titles; + const allTitles = Search._index.alltitles; + const indexEntries = Search._index.indexentries; + + // stem the search terms and add them to the correct list + const stemmer = new Stemmer(); + const searchTerms = new Set(); + const excludedTerms = new Set(); + const highlightTerms = new Set(); + const objectTerms = new Set(splitQuery(query.toLowerCase().trim())); + splitQuery(query.trim()).forEach((queryTerm) => { + const queryTermLower = queryTerm.toLowerCase(); + + // maybe skip this "word" + // stopwords array is from language_data.js + if ( + stopwords.indexOf(queryTermLower) !== -1 || + queryTerm.match(/^\d+$/) + ) + return; + + // stem the word + let word = stemmer.stemWord(queryTermLower); + // select the correct list + if (word[0] === "-") excludedTerms.add(word.substr(1)); + else { + searchTerms.add(word); + highlightTerms.add(queryTermLower); + } + }); + + if (SPHINX_HIGHLIGHT_ENABLED) { // set in sphinx_highlight.js + localStorage.setItem("sphinx_highlight_terms", [...highlightTerms].join(" ")) + } + + // console.debug("SEARCH: searching for:"); + // console.info("required: ", [...searchTerms]); + // console.info("excluded: ", [...excludedTerms]); + + // array of [docname, title, anchor, descr, score, filename] + let results = []; + _removeChildren(document.getElementById("search-progress")); + + const queryLower = query.toLowerCase(); + for (const [title, foundTitles] of Object.entries(allTitles)) { + if (title.toLowerCase().includes(queryLower) && (queryLower.length >= title.length/2)) { + for (const [file, id] of foundTitles) { + let score = Math.round(100 * queryLower.length / title.length) + results.push([ + docNames[file], + titles[file] !== title ? `${titles[file]} > ${title}` : title, + id !== null ? "#" + id : "", + null, + score, + filenames[file], + ]); + } + } + } + + // search for explicit entries in index directives + for (const [entry, foundEntries] of Object.entries(indexEntries)) { + if (entry.includes(queryLower) && (queryLower.length >= entry.length/2)) { + for (const [file, id] of foundEntries) { + let score = Math.round(100 * queryLower.length / entry.length) + results.push([ + docNames[file], + titles[file], + id ? "#" + id : "", + null, + score, + filenames[file], + ]); + } + } + } + + // lookup as object + objectTerms.forEach((term) => + results.push(...Search.performObjectSearch(term, objectTerms)) + ); + + // lookup as search terms in fulltext + results.push(...Search.performTermsSearch(searchTerms, excludedTerms)); + + // let the scorer override scores with a custom scoring function + if (Scorer.score) results.forEach((item) => (item[4] = Scorer.score(item))); + + // now sort the results by score (in opposite order of appearance, since the + // display function below uses pop() to retrieve items) and then + // alphabetically + results.sort((a, b) => { + const leftScore = a[4]; + const rightScore = b[4]; + if (leftScore === rightScore) { + // same score: sort alphabetically + const leftTitle = a[1].toLowerCase(); + const rightTitle = b[1].toLowerCase(); + if (leftTitle === rightTitle) return 0; + return leftTitle > rightTitle ? -1 : 1; // inverted is intentional + } + return leftScore > rightScore ? 1 : -1; + }); + + // remove duplicate search results + // note the reversing of results, so that in the case of duplicates, the highest-scoring entry is kept + let seen = new Set(); + results = results.reverse().reduce((acc, result) => { + let resultStr = result.slice(0, 4).concat([result[5]]).map(v => String(v)).join(','); + if (!seen.has(resultStr)) { + acc.push(result); + seen.add(resultStr); + } + return acc; + }, []); + + results = results.reverse(); + + // for debugging + //Search.lastresults = results.slice(); // a copy + // console.info("search results:", Search.lastresults); + + // print the results + _displayNextItem(results, results.length, searchTerms); + }, + + /** + * search for object names + */ + performObjectSearch: (object, objectTerms) => { + const filenames = Search._index.filenames; + const docNames = Search._index.docnames; + const objects = Search._index.objects; + const objNames = Search._index.objnames; + const titles = Search._index.titles; + + const results = []; + + const objectSearchCallback = (prefix, match) => { + const name = match[4] + const fullname = (prefix ? prefix + "." : "") + name; + const fullnameLower = fullname.toLowerCase(); + if (fullnameLower.indexOf(object) < 0) return; + + let score = 0; + const parts = fullnameLower.split("."); + + // check for different match types: exact matches of full name or + // "last name" (i.e. last dotted part) + if (fullnameLower === object || parts.slice(-1)[0] === object) + score += Scorer.objNameMatch; + else if (parts.slice(-1)[0].indexOf(object) > -1) + score += Scorer.objPartialMatch; // matches in last name + + const objName = objNames[match[1]][2]; + const title = titles[match[0]]; + + // If more than one term searched for, we require other words to be + // found in the name/title/description + const otherTerms = new Set(objectTerms); + otherTerms.delete(object); + if (otherTerms.size > 0) { + const haystack = `${prefix} ${name} ${objName} ${title}`.toLowerCase(); + if ( + [...otherTerms].some((otherTerm) => haystack.indexOf(otherTerm) < 0) + ) + return; + } + + let anchor = match[3]; + if (anchor === "") anchor = fullname; + else if (anchor === "-") anchor = objNames[match[1]][1] + "-" + fullname; + + const descr = objName + _(", in ") + title; + + // add custom score for some objects according to scorer + if (Scorer.objPrio.hasOwnProperty(match[2])) + score += Scorer.objPrio[match[2]]; + else score += Scorer.objPrioDefault; + + results.push([ + docNames[match[0]], + fullname, + "#" + anchor, + descr, + score, + filenames[match[0]], + ]); + }; + Object.keys(objects).forEach((prefix) => + objects[prefix].forEach((array) => + objectSearchCallback(prefix, array) + ) + ); + return results; + }, + + /** + * search for full-text terms in the index + */ + performTermsSearch: (searchTerms, excludedTerms) => { + // prepare search + const terms = Search._index.terms; + const titleTerms = Search._index.titleterms; + const filenames = Search._index.filenames; + const docNames = Search._index.docnames; + const titles = Search._index.titles; + + const scoreMap = new Map(); + const fileMap = new Map(); + + // perform the search on the required terms + searchTerms.forEach((word) => { + const files = []; + const arr = [ + { files: terms[word], score: Scorer.term }, + { files: titleTerms[word], score: Scorer.title }, + ]; + // add support for partial matches + if (word.length > 2) { + const escapedWord = _escapeRegExp(word); + Object.keys(terms).forEach((term) => { + if (term.match(escapedWord) && !terms[word]) + arr.push({ files: terms[term], score: Scorer.partialTerm }); + }); + Object.keys(titleTerms).forEach((term) => { + if (term.match(escapedWord) && !titleTerms[word]) + arr.push({ files: titleTerms[word], score: Scorer.partialTitle }); + }); + } + + // no match but word was a required one + if (arr.every((record) => record.files === undefined)) return; + + // found search word in contents + arr.forEach((record) => { + if (record.files === undefined) return; + + let recordFiles = record.files; + if (recordFiles.length === undefined) recordFiles = [recordFiles]; + files.push(...recordFiles); + + // set score for the word in each file + recordFiles.forEach((file) => { + if (!scoreMap.has(file)) scoreMap.set(file, {}); + scoreMap.get(file)[word] = record.score; + }); + }); + + // create the mapping + files.forEach((file) => { + if (fileMap.has(file) && fileMap.get(file).indexOf(word) === -1) + fileMap.get(file).push(word); + else fileMap.set(file, [word]); + }); + }); + + // now check if the files don't contain excluded terms + const results = []; + for (const [file, wordList] of fileMap) { + // check if all requirements are matched + + // as search terms with length < 3 are discarded + const filteredTermCount = [...searchTerms].filter( + (term) => term.length > 2 + ).length; + if ( + wordList.length !== searchTerms.size && + wordList.length !== filteredTermCount + ) + continue; + + // ensure that none of the excluded terms is in the search result + if ( + [...excludedTerms].some( + (term) => + terms[term] === file || + titleTerms[term] === file || + (terms[term] || []).includes(file) || + (titleTerms[term] || []).includes(file) + ) + ) + break; + + // select one (max) score for the file. + const score = Math.max(...wordList.map((w) => scoreMap.get(file)[w])); + // add result to the result list + results.push([ + docNames[file], + titles[file], + "", + null, + score, + filenames[file], + ]); + } + return results; + }, + + /** + * helper function to return a node containing the + * search summary for a given text. keywords is a list + * of stemmed words. + */ + makeSearchSummary: (htmlText, keywords) => { + const text = Search.htmlToText(htmlText); + if (text === "") return null; + + const textLower = text.toLowerCase(); + const actualStartPosition = [...keywords] + .map((k) => textLower.indexOf(k.toLowerCase())) + .filter((i) => i > -1) + .slice(-1)[0]; + const startWithContext = Math.max(actualStartPosition - 120, 0); + + const top = startWithContext === 0 ? "" : "..."; + const tail = startWithContext + 240 < text.length ? "..." : ""; + + let summary = document.createElement("p"); + summary.classList.add("context"); + summary.textContent = top + text.substr(startWithContext, 240).trim() + tail; + + return summary; + }, +}; + +_ready(Search.init); diff --git a/manual/v2.0.5/en/_static/sphinx_highlight.js b/manual/v2.0.5/en/_static/sphinx_highlight.js new file mode 100644 index 00000000..aae669d7 --- /dev/null +++ b/manual/v2.0.5/en/_static/sphinx_highlight.js @@ -0,0 +1,144 @@ +/* Highlighting utilities for Sphinx HTML documentation. */ +"use strict"; + +const SPHINX_HIGHLIGHT_ENABLED = true + +/** + * highlight a given string on a node by wrapping it in + * span elements with the given class name. + */ +const _highlight = (node, addItems, text, className) => { + if (node.nodeType === Node.TEXT_NODE) { + const val = node.nodeValue; + const parent = node.parentNode; + const pos = val.toLowerCase().indexOf(text); + if ( + pos >= 0 && + !parent.classList.contains(className) && + !parent.classList.contains("nohighlight") + ) { + let span; + + const closestNode = parent.closest("body, svg, foreignObject"); + const isInSVG = closestNode && closestNode.matches("svg"); + if (isInSVG) { + span = document.createElementNS("http://www.w3.org/2000/svg", "tspan"); + } else { + span = document.createElement("span"); + span.classList.add(className); + } + + span.appendChild(document.createTextNode(val.substr(pos, text.length))); + parent.insertBefore( + span, + parent.insertBefore( + document.createTextNode(val.substr(pos + text.length)), + node.nextSibling + ) + ); + node.nodeValue = val.substr(0, pos); + + if (isInSVG) { + const rect = document.createElementNS( + "http://www.w3.org/2000/svg", + "rect" + ); + const bbox = parent.getBBox(); + rect.x.baseVal.value = bbox.x; + rect.y.baseVal.value = bbox.y; + rect.width.baseVal.value = bbox.width; + rect.height.baseVal.value = bbox.height; + rect.setAttribute("class", className); + addItems.push({ parent: parent, target: rect }); + } + } + } else if (node.matches && !node.matches("button, select, textarea")) { + node.childNodes.forEach((el) => _highlight(el, addItems, text, className)); + } +}; +const _highlightText = (thisNode, text, className) => { + let addItems = []; + _highlight(thisNode, addItems, text, className); + addItems.forEach((obj) => + obj.parent.insertAdjacentElement("beforebegin", obj.target) + ); +}; + +/** + * Small JavaScript module for the documentation. + */ +const SphinxHighlight = { + + /** + * highlight the search words provided in localstorage in the text + */ + highlightSearchWords: () => { + if (!SPHINX_HIGHLIGHT_ENABLED) return; // bail if no highlight + + // get and clear terms from localstorage + const url = new URL(window.location); + const highlight = + localStorage.getItem("sphinx_highlight_terms") + || url.searchParams.get("highlight") + || ""; + localStorage.removeItem("sphinx_highlight_terms") + url.searchParams.delete("highlight"); + window.history.replaceState({}, "", url); + + // get individual terms from highlight string + const terms = highlight.toLowerCase().split(/\s+/).filter(x => x); + if (terms.length === 0) return; // nothing to do + + // There should never be more than one element matching "div.body" + const divBody = document.querySelectorAll("div.body"); + const body = divBody.length ? divBody[0] : document.querySelector("body"); + window.setTimeout(() => { + terms.forEach((term) => _highlightText(body, term, "highlighted")); + }, 10); + + const searchBox = document.getElementById("searchbox"); + if (searchBox === null) return; + searchBox.appendChild( + document + .createRange() + .createContextualFragment( + '

    " + ) + ); + }, + + /** + * helper function to hide the search marks again + */ + hideSearchWords: () => { + document + .querySelectorAll("#searchbox .highlight-link") + .forEach((el) => el.remove()); + document + .querySelectorAll("span.highlighted") + .forEach((el) => el.classList.remove("highlighted")); + localStorage.removeItem("sphinx_highlight_terms") + }, + + initEscapeListener: () => { + // only install a listener if it is really needed + if (!DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS) return; + + document.addEventListener("keydown", (event) => { + // bail for input elements + if (BLACKLISTED_KEY_CONTROL_ELEMENTS.has(document.activeElement.tagName)) return; + // bail with special keys + if (event.shiftKey || event.altKey || event.ctrlKey || event.metaKey) return; + if (DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS && (event.key === "Escape")) { + SphinxHighlight.hideSearchWords(); + event.preventDefault(); + } + }); + }, +}; + 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Number density of the hardcore Bosons on a square lattice — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    3.4. Number density of the hardcore Bosons on a square lattice

    +

    In this tutorial, we will calculate the chemical potential dependence of the number density of the hardcore Bose-Hubbard model with the nearest neighbor repulsive on a \(8\times8\) square lattice.

    +

    The following Python script (sample/dla/03_bosesquare/exec.py) performs DSQSS/DLA work-flow for each parameter (chemical potential) automatically.

    +
    import subprocess
    +
    +from dsqss.dla_pre import dla_pre
    +from dsqss.result import Results
    +
    +V = 3
    +L = [8, 8]
    +beta = 10.0
    +
    +lattice = {"lattice": "hypercubic", "dim": 2, "L": L}
    +hamiltonian = {"model": "boson", "t": 1, "V": V, "M": 1}
    +parameter = {"beta": beta, "nset": 4, "ntherm": 100, "ndecor": 100,
    +             "nmcs": 100, "wvfile": "wv.xml", "dispfile": "disp.xml"}
    +
    +name = "amzu"
    +mus = [-4.0, -2.0, 0.0, 2.0, 2.5, 3.0, 6.0, 9.0, 9.5, 10.0, 12.0, 14.0]
    +
    +output = open("{}.dat".format(name), "w")
    +for i, mu in enumerate(mus):
    +    ofile = "res_{}.dat".format(i)
    +    pfile = "param_{}.in".format(i)
    +    sfoutfile = "sf_{}.dat".format(i)
    +    cfoutfile = "cf_{}.dat".format(i)
    +    ckoutfile = "ck_{}.dat".format(i)
    +
    +    hamiltonian["mu"] = mu
    +    parameter["outfile"] = ofile
    +    parameter["sfoutfile"] = sfoutfile
    +    parameter["cfoutfile"] = cfoutfile
    +    parameter["ckoutfile"] = ckoutfile
    +    dla_pre(
    +        {"parameter": parameter, "hamiltonian": hamiltonian, "lattice": lattice}, pfile
    +    )
    +    cmd = ["dla", pfile]
    +    subprocess.call(cmd)
    +    res = Results(ofile)
    +    output.write("{} {}\n".format(mu, res.to_str(name)))
    +output.close()
    +
    +
    +

    Before executing this script, source a configuring file dsqssvars-VERSION.sh in order to set environment variables +(replace VERSION with the version of DSQSS, e.g., 2.0.0.)

    +
    $ source $DSQSS_INSTALL_DIR/share/dsqss/dsqssvars-VERSION.sh
    +$ python exec.py
    +
    +
    +

    The result is written to amzu.dat (Fig. 3.2). +You can see a density plateau around \(\mu=6\) . In this region, a checker board solid phase due to repulsive interaction appears.

    +
    +density plateau of two dimensional repulsive hardcore bosons. +
    +

    Fig. 3.2 Chemical potential dependence of number density of repulsive hardcore bosons.

    +
    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/dla/tutorial/index.html b/manual/v2.0.5/en/dla/tutorial/index.html new file mode 100644 index 00000000..c5aa958d --- /dev/null +++ b/manual/v2.0.5/en/dla/tutorial/index.html @@ -0,0 +1,135 @@ + + + + + + + + 3. Tutorial of DSQSS/DLA — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + + + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/dla/tutorial/intro.html b/manual/v2.0.5/en/dla/tutorial/intro.html new file mode 100644 index 00000000..d2872843 --- /dev/null +++ b/manual/v2.0.5/en/dla/tutorial/intro.html @@ -0,0 +1,130 @@ + + + + + + + + 3.1. What’s DSQSS/DLA? — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    3.1. What’s DSQSS/DLA?

    +

    DSQSS/DLA is a solver package based on the world line Monte Carlo method with the directed loop algorithm. +This can simulate many quantities, e.g. magnetization and susceptibility, +of any model on any lattice if free from negative sign problem. +This comes with some utility tools which generate input files for +some models and lattices; +Heisenberg model, Bose-Hubbard model, hypercubic lattice, and triangular lattice.

    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/dla/tutorial/spinchain.html b/manual/v2.0.5/en/dla/tutorial/spinchain.html new file mode 100644 index 00000000..484ce51d --- /dev/null +++ b/manual/v2.0.5/en/dla/tutorial/spinchain.html @@ -0,0 +1,183 @@ + + + + + + + + 3.3. Magnetic Susceptibility of antiferromagnetic spin chains — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    3.3. Magnetic Susceptibility of antiferromagnetic spin chains

    +

    In this tutorial, we will calculate the temperature dependence of the magnetic susceptibility for two kinds of antiferromagnetic spin chains with the local spin length \(S=1/2, 1\).

    +

    The following Python script (sample/dla/02_spinchain/exec.py) performs DSQSS/DLA work-flow for each parameter (combination of spin length and temperature) automatically.

    +
    import subprocess
    +
    +from dsqss.dla_pre import dla_pre
    +from dsqss.result import Results
    +
    +L = 30
    +
    +lattice = {"lattice": "hypercubic", "dim": 1, "L": L}
    +hamiltonian = {"model": "spin", "Jz": -1, "Jxy": -1}
    +parameter = {"nset": 5, "ntherm": 1000, "ndecor": 1000, "nmcs": 1000,
    +             "wvfile": "wv.xml", "dispfile": "disp.xml"}
    +
    +name = "xmzu"
    +Ms = [1, 2]
    +Ts = [0.05, 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0, 1.25, 1.5, 1.75, 2.0]
    +
    +for M in Ms:
    +    output = open("{0}_{1}.dat".format(name, M), "w")
    +    for i, T in enumerate(Ts):
    +        ofile = "res_{}_{}.dat".format(M, i)
    +        pfile = "param_{}_{}.in".format(M, i)
    +        sfoutfile = "sf_{}_{}.dat".format(M, i)
    +        cfoutfile = "cf_{}_{}.dat".format(M, i)
    +        ckoutfile = "ck_{}_{}.dat".format(M, i)
    +        hamiltonian["M"] = M
    +        parameter["beta"] = 1.0 / T
    +        parameter["outfile"] = ofile
    +        parameter["sfoutfile"] = sfoutfile
    +        parameter["cfoutfile"] = cfoutfile
    +        parameter["ckoutfile"] = ckoutfile
    +        dla_pre(
    +            {"parameter": parameter, "hamiltonian": hamiltonian, "lattice": lattice},
    +            pfile,
    +        )
    +        cmd = ["dla", "param_{0}_{1}.in".format(M, i)]
    +        subprocess.call(cmd)
    +        res = Results(ofile)
    +        output.write("{} {}\n".format(T, res.to_str(name)))
    +    output.close()
    +
    +
    +

    Before executing this script, source a configuring file dsqssvars-VERSION.sh in order to set environment variables +(replace VERSION with the version of DSQSS, e.g., 2.0.0.)

    +
    $ source $DSQSS_INSTALL_DIR/share/dsqss/dsqssvars-VERSION.sh
    +$ python exec.py
    +
    +
    +

    The result of \(S=1/2,1\) will be written to xmzu_1.dat and xmzu_2.dat, respectively (Fig. 3.1). +The \(S=1/2\) chain is gapless and so the magnetic susceptibility remains finite at absolute zero (note that in the simulation the finite size effect opens energy gap). +On the other hand, the magnetic susceptibility of the \(S=1\) chain drops to zero at finite temperature due to the spin gap.

    +
    +magnetic susceptibility curves of antiferromagnetic spin chain +
    +

    Fig. 3.1 Temperature v.s. susceptibility curves for \(S=1/2\) (blue) and \(S=1\) (red) antiferromagnetic Heisenberg chain.

    +
    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/dla/tutorial/spindimer.html b/manual/v2.0.5/en/dla/tutorial/spindimer.html new file mode 100644 index 00000000..05dc64ca --- /dev/null +++ b/manual/v2.0.5/en/dla/tutorial/spindimer.html @@ -0,0 +1,209 @@ + + + + + + + + 3.2. Energy calculation of the antiferromagnetic Heisenberg dimer by DSQSS/DLA — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    3.2. Energy calculation of the antiferromagnetic Heisenberg dimer by DSQSS/DLA

    +

    This tutorial gives how to use DSQSS/DLA through a calculation the energy of the \(S=1/2\) antiferromagnetic Heisenberg dimer \(\mathcal{H} = -J \vec{S}_1 \cdot \vec{S}_2\) .

    +

    DSQSS/DLA calculation has the following three parts:

    +
      +
    1. Prepare the input files

    2. +
    3. Perform QMC calculation

    4. +
    5. Analyze the result

    6. +
    +
    +

    3.2.1. Prepare the input files

    +

    DSQSS/DLA requires the following input files:

    +
      +
    1. Parameter file

    2. +
    3. lattice file

    4. +
    5. algorithm file

    6. +
    +

    dla_pre is a utility tool to generate these files from one textfile such as the following (sample/dla/01_spindimer/std.toml)

    +
    [hamiltonian]
    +model = "spin"
    +M =  1                 # S=1/2
    +Jz = -1.0              # coupling constant, negative for AF
    +Jxy = -1.0             # coupling constant, negative for AF
    +h = 0.0                # magnetic field
    +
    +[lattice]
    +lattice = "hypercubic" # hypercubic, periodic
    +dim = 1                # dimension
    +L = 2                  # number of sites along each direction
    +bc = false             # open boundary
    +
    +[parameter]
    +beta = 100             # inverse temperature
    +nset = 5               # set of Monte Carlo sweeps
    +npre = 10              # MCSteps to estimate hyperparameter
    +ntherm = 10            # MCSweeps for thermalization
    +nmcs = 100             # MCSweeps for measurement
    +seed = 31415           # seed of RNG
    +
    +
    +

    Give this file to dla_pre as

    +
    $ dla_pre std.toml
    +
    +
    +

    This generates the following four files: +a parameter file param.in, a lattice file lattice.xml, an algorithm file algorithm.xml.

    +
    +
    +

    3.2.2. Perform QMC calculation

    +

    Once input files are prepared, you can perform a quantum Monte Carlo calculation based on the directed loop algorithm (dla) by DSQSS/DLA.

    +
    $ dla param.in
    +
    +
    +

    You can perform random number parallelization by using MPI. [1]

    +
    $ mpiexec -np 4 dla param.in
    +
    +
    +

    By the above command, the total number of Monte Carlo samples times by four (equals to the number of process) +and the obtained statistical error is expected to reduce to half (equals to the inverse square root of the number of process).

    +
    +
    +

    3.2.3. Analyze the result

    +

    The result of the calculation is written into a text file sample.log. +Since the energy per site is recorded with a name ene, +you can for example draw this by the grep command by the following.

    +
    $ grep ene sample.log
    +R ene = -3.74380000e-01 5.19493985e-03
    +
    +
    +

    The two figures stand for the expectation value and the statistical error, respectively. +The result value is compatible with the exact solution, \(-3|J|/8 = -0.375|J|\), within the statistical error.

    +

    Footnote

    + +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/dla/users-manual/engine.html b/manual/v2.0.5/en/dla/users-manual/engine.html new file mode 100644 index 00000000..5a705652 --- /dev/null +++ b/manual/v2.0.5/en/dla/users-manual/engine.html @@ -0,0 +1,139 @@ + + + + + + + + 4.5. Directed loop algorithm solver dla — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    4.5. Directed loop algorithm solver dla

    +

    dla is a quantum Monte Carlo solver with the directed loop algorithm. +This takes an input file as the command line argument.:

    +
    $ dla param.in
    +
    +
    +

    DSQSS/DLA implements random number parallelization by using MPI. +Since each process performs NSET Monte Carlo calculation independently, +the total number of MC sets increases \(N_\text{process}\) +and thus it is expected that the statistical error also reduces to \(1/\sqrt{N_\text{process}}\) times.

    +
    $ mpiexec -np 4 dla param.in
    +
    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/dla/users-manual/generator.html b/manual/v2.0.5/en/dla/users-manual/generator.html new file mode 100644 index 00000000..7f3439cd --- /dev/null +++ b/manual/v2.0.5/en/dla/users-manual/generator.html @@ -0,0 +1,327 @@ + + + + + + + + 4.4. Input file generators for DSQSS/DLA — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    4.4. Input file generators for DSQSS/DLA

    +

    DSQSS/DLA takes several input files; +lattice XML file, algorithm XML file, and wavevector XML file, +and users can simulate any model on any lattice (graph) by defining these files properly. +They are, however, too complicated to be made by hand. +To help users, DSQSS/DLA offers utility tools for generating these files for widely used lattices and models +such as a hypercubic lattice and the Heisenberg model.

    +
    +

    4.4.1. Simple mode tool dla_pre

    +

    dla_pre is a utility tool for generating Input files for DSQSS/DLA from Simple mode file std.toml.

    +
    $ dla_pre [-p paramfile] <inputfile>
    +
    +
    +

    The meanings of the parameters are following.

    +
    +
    paramfile

    The name of the parameter file to be generated (default: param.in.)

    +
    +
    inputfile

    The name of the input file. +For details of the input file, see Simple mode file std.toml .

    +
    +
    +

    The names of the XML files such as the lattice XML file are automatically determined from parameters.

    +
    +
    +

    4.4.2. Lattice file generator dla_latgen

    +

    dla_latgen is a utility tool for generating Lattice datafile or Lattice TOML file lattice.toml from Simple mode file std.toml .

    +
    $ dla_latgen [-o datafile] [-t TOML] [-g GNUPLOT] input
    +
    +
    +

    The meanings of the parameters are following.

    +
    +
    datafile

    The name of the generated lattice data file (default: lattice.dat .) +If empty, dla_latgen never generate any lattice data file.

    +
    +
    TOML

    The name of the generated lattice TOML file (default: empty.) +If empty, dla_latgen never generate any lattice TOML file.

    +
    +
    GNUPLOT

    The name of the generated lattice Gnuplot file (default: empty.) +If empty, dla_latgen never generate any lattice Gnuplot file. +Users can see the generated lattice by load the lattice Gnuplot file in gnuplot.

    +
    +
    inputfile

    The name of the input file. +For details of the input file, see lattice .

    +
    +
    +

    Examples

    +
    # 1d chain with 8 sites
    +[lattice]
    +lattice = "hypercubic"
    +dim = 1
    +L = 8
    +
    +
    +
    # 2d square, 4x4 sites
    +[lattice]
    +lattice = "hypercubic"
    +dim = 2
    +L = 4
    +
    +
    +
    # two leg ladder, 8x2 sites
    +[lattice]
    +lattice = "hypercubic"
    +dim = 2
    +L = [8,2]
    +bc = [true, false]
    +
    +
    +
    +
    +

    4.4.3. Hamiltonian file generator dla_hamgen

    +

    dla_hamgen is a utility tool for generating Hamiltonian TOML file from Simple mode file std.toml

    +
    $ dla_hamgen [-o filename] <inputfile>
    +
    +
    +

    The meanings of the parameters are following.

    +
    +
    filename

    The name of the generated Hamiltonian file (default: hamiltonian.toml .)

    +
    +
    inputfile

    The name of the input file. +For details of the input file, see hamiltonian .

    +
    +
    +

    Example

    +
    # S=1/2 AF Heisenberg model
    +[hamiltonian]
    +model = "spin"
    +M = 1
    +Jz = -1.0
    +Jxy = -1.0
    +
    +
    +
    # S=1 J1 AF J2 FM XY model under the field
    +[hamiltonian]
    +model = "spin"
    +M = 2
    +Jxy = [-1.0, 1.0]
    +h = 1.0
    +
    +
    +
    # hardcore boson
    +[hamiltonian]
    +model = "boson"
    +M = 1
    +t = 1.0
    +V = 1.0
    +
    +
    +
    # softcore boson (upto N=2)
    +[hamiltonian]
    +model = "boson"
    +M = 2
    +t = 1.0
    +U = 1.0
    +V = 1.0
    +mu = 1.0
    +
    +
    +
    +
    +

    4.4.4. Parameter file generator dla_pgen

    +

    dla_pgen is utility tool for generating Parameter file from Simple mode file std.toml .

    +
    $ dla_pgen [-o filename] <inputfile>
    +
    +
    +

    The meanings of the parameters are following.

    +
    +
    filename

    The name of the generated parameter file (default: param.in .)

    +
    +
    inputfile

    The name of the input file. +For details of the input file, see parameter .

    +
    +
    +
    +
    +

    4.4.5. Wavevector file generator dla_wvgen

    +

    dla_wvgen is a utility tool for generating Wavevector datafile from Simple mode file std.toml .

    +
    $ dla_wvgen [-o filename] [-s size] <inputfile>
    +
    +
    +

    The meanings of the parameters are following.

    +
    +
    filename

    The name of the generated wavevector file (default: kpoints.dat .)

    +
    +
    size

    Space separated integers denoting the lattice size (e.g., -s "4 4" .) +If omitted, it will be detected from the [lattice] table of the input TOML file.

    +
    +
    inputfile

    The name of the input file. +For details of the input file, see hamiltonian .

    +
    +
    +
    +
    +

    4.4.6. Algorithm file generator dla_alg

    +

    dla_alg is a utility tool for generating +Lattice XML file lattice.xml, Algorithm XML file algorithm.xml, Wavevector XML file wavevector.xml, and Relative coordinate XML file displacement.xml +from Lattice datafile, Lattice TOML file lattice.toml, Hamiltonian TOML file, and Wavevector datafile .

    +
    $ dla_alg [-l LAT] [-h HAM] [-L LATXML] [-A ALGXML]
    +          [--without_lattice] [--without_algorithm] [-k KPOINT]
    +          [--wv WV] [--disp DISP] [--distance-only]
    +          [--kernel KERNEL]
    +
    +
    +

    The meanings of the parameters are following.

    +
    +
    LAT

    The name of the lattice dat/TOML file (default: lattice.dat.) +The type whether dat or TOML is automatically detected.

    +
    +
    HAM

    The name of the Hamiltonian TOML file (default: hamiltonian.toml .)

    +
    +
    LATXML

    The name of the generated lattice XML file (default: lattice.xml .)

    +
    +
    ALGXML

    The name of the generated algorithm XML file (default: algorithm.xml .)

    +
    +
    without_lattice

    If set, dla_alg never generate a lattice XML file. +Even in this case, the lattice dat/TOML file is still required.

    +
    +
    without_algorithm

    If set, dla_alg never generate an algorithm XML file.

    +
    +
    KPOINT

    The name of the wavevector file. +If omit, dla_alg never generate a wavevector XML file.

    +
    +
    WV

    The name of the generated wavevector XML file (default: wavevector.xml .)

    +
    +
    DISP

    The name of the generated relative coordinate XML file. +If omit, dla_alg never generate a relative coordinate XML file.

    +
    +
    --distance-only

    If set, dla_alg groups pairs of sites by absolute distance instead of relative coordinate.

    +
    +
    KERNEL

    The name of the algorithm for calculating the scattering probability of a worm head at a vertex (default: "suwa todo" .) +For details, see algorithm .

    +
    +
    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/dla/users-manual/index.html b/manual/v2.0.5/en/dla/users-manual/index.html new file mode 100644 index 00000000..2247b769 --- /dev/null +++ b/manual/v2.0.5/en/dla/users-manual/index.html @@ -0,0 +1,167 @@ + + + + + + + + 4. User’s manual of DSQSS/DLA — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + +
    + + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/dla/users-manual/input_expert.html b/manual/v2.0.5/en/dla/users-manual/input_expert.html new file mode 100644 index 00000000..39343378 --- /dev/null +++ b/manual/v2.0.5/en/dla/users-manual/input_expert.html @@ -0,0 +1,653 @@ + + + + + + + + 4.3. Input files for DSQSS/DLA — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    4.3. Input files for DSQSS/DLA

    +
    +

    4.3.1. The list of input files

    + ++++ + + + + + + + + + + + + + + + + + +

    param.in

    Parameter list for the simulation, e.g., the number of Monte Carlo sets.

    lattice.xml

    Definition of the lattice.

    algorithm.xml

    Definition of the algorithm (e.g., scattering rate of a worm).

    wavevector.xml

    Indication of wave vectors for structure factors. (optional)

    displacement.xml

    Indexing directions between all the sites. (optional)

    +
    +
    +

    4.3.2. Parameter file

    +

    The parameter file is a plain-text file with the following format,

    +
      +
    • One line stands for one parameter by the key-value style, <name> = <value>.

    • +
    • Cases are insensitive except for file names.

    • +
    • White spaces and blank lines are ignored.

    • +
    • Parts between “#” symbol and the linebreak are ignored as comments.

    • +
    +

    The list of parameters are the following,

    + ++++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    name

    type

    default

    description

    beta

    double

    Inverse temperature.

    npre

    int

    1000

    The number of Monte Carlo steps in the pre-calculation phase where the number of creation trials of a pair of worms in one Monte Carlo sweep is defined.

    ntherm

    int

    1000

    The number of Monte Carlo sweeps to thermalize the system.

    ndecor

    int

    1000

    The number of Monte Carlo sweeps to reduce autocorrelation time between two preceding sets.

    nmcs

    int

    1000

    The number of Monte Carlo sweeps to calculate mean values of observables.

    nset

    int

    10

    The number of Monte Carlo sets.

    simulationtime

    double

    0.0

    Simulation time in second.

    seed

    int

    198212240

    The seed of the random number generator.

    nvermax

    int

    100000

    The maximum number of vertices.

    nsegmax

    int

    100000

    The maximum number of world-line segments.

    algfile

    string

    algorithm.xml

    The filename of an algorithm file.

    latfile

    string

    lattice.xml

    The filename of a lattice file.

    ntau

    int

    10

    The number of the discretization of the imaginary time for calculating some observables as functions of imaginary time.

    wvfile

    string

    A wavevector XML file. If it is an empty string, observables as functions of wavevector will not be calculated.

    dispfile

    string

    A relative coordinates XML file. If it is an empty string, observables as functions of relative coordinates will not be calculated.

    outfile

    string

    sample.log

    The name of the main result file.

    sfoutfile

    string

    sf.dat

    The name of the structure factor result file.

    cfoutfile

    string

    cf.dat

    The name of the real space temperature Green’s function output file.

    ckoutfile

    string

    ck.dat

    The name of the momentum space temperature Green’s function output file.

    +
      +
    • About simulationtime

      +
        +
      • When simulationtime > 0.0

        +
          +
        • +
          DSQSS/DLA loads the checkpoint file and resumes the simulation if the checkpoint file exists.
            +
          • If not, DSQSS/DLA starts a new simulation.

          • +
          +
          +
          +
        • +
        • After the time specified by “simulationtime” (in seconds) has elapsed, DSQSS/DLA saves the state of the simulation into the checkpoint file and halts the simulation.

        • +
        • The name of the checkpoint file is that of the main result file with a suffix “.cjob”.

        • +
        +
      • +
      • When simulationtime <= 0.0

        +
          +
        • The checkpoint file is ignored. DSQSS/DLA never saves nor loads it.

        • +
        +
      • +
      +
    • +
    +
    +
    +

    4.3.3. Lattice XML file lattice.xml

    +

    A lattice file is a textfile written in XML format. +This defines space to be simulation, for example, the number of sites, the connections between sites, and so on. +This file can be very complicated, so DSQSS has a utility tool dla_alg to generate lattice XML files from simpler files, lattice data files and lattice TOML files.

    +

    The lattice file has a unique element named “Lattice”. The other elements belong to “Lattice” as children.

    +
    +
    Lattice

    The root element.

    +
    +
    Lattice/Comment

    (Optional) Comment. DSQSS ignores this element.

    +
    +
    Lattice/Dimension

    The dimension of the lattice.

    +
    +
    Lattice/LinearSize

    The size of the lattice in units of the unitcell. +This takes space-separated positive integers as many as specified by “Lattice/Dimension”.

    +
    <LinearSize> 3 4 </LinearSize>
    +# unitcells are arranged in 3x4.
    +
    +
    +
    +
    Lattice/NumberOfSites

    The number of sites.

    +
    +
    Lattice/NumberOfInteractions

    The number of the interactions. +When all the interactions are two-body ones, this is nothing but the number of bonds.

    +
    +
    Lattice/NumberOfSiteTypes

    The number of site types.

    +
    +
    Lattice/NumberOfInteractionTypes

    The number of interaction types.

    +
    +
    Lattice/NumberOfBondDirections

    The number of bond directions.

    +
    +
    Lattice/NumberOfEdgeInteractions

    The number of bonds connecting sites over the lattice’s boundary.

    +
    +
    Lattice/Basis

    The basic vectors spanning lattice space.

    +
    +
    Lattice/S

    Site information. +“Lattice” should includes this element as many as the number specified by “Lattice/NumberOfSites”. +This takes two nonnegative integers, “index of site” and “site type”. +The detail of site type is defined in an algorithm file.

    +
    <S> 3 0 </S>
    +# the site with index 3 has the site type of 0.
    +
    +
    +
    +
    Lattice/I

    Interaction information. +“Lattice” should includes this element as many as the number specified by “Lattice/NumberOfInteractions”. +This takes space-separated integers, “index of the interaction”, “interaction type”, “the number of sites involved in the interaction”, “indices of involved sites”. +The details of interaction type, e.g., the strength, are defined in an algorithm file. +The order of the indices of sites should be compatible with the order of sites specified in “Algorithm/Vertex/InitialConfiguration” in the algorithm file.

    +
    <I> 5 1 2 8 12 </I>
    +# the interaction with index 5 has the interaction type of 1 and connects 2 sites, 8 and 12.
    +
    +
    +
    +
    Lattice/Direction

    The direction of bonds. +This takes “index of the direction” and “coordinates of the direction.”

    +
    +
    +
    +
    +

    4.3.4. Algorithm XML file algorithm.xml

    +

    An algorithm file is a textfile written in XML format. +This defines the details of interactions, for example, the scattering probability of a worm head. +This file can be very complicated, so DSQSS has a utility tool dla_alg to generate algorithm files from more simple file, the Hamiltonian file introduced later.

    +

    The algorithm file has a unique element named “Algorithm”. The other elements belong to “Algorithm” as children.

    +
    +
    Algorithm

    The root element. +This has children, “General”, “Site”, “Interaction”, and “Vertex”.

    +
    +
    Algorithm/Comment

    (Optional) Comment. DSQSS ignores this.

    +
    +
    Algorithm/General

    General parameters such as the number of site types. +This has children, “NSType”, “NIType”, “NVType”, “NXMax”, and “WDiag”.

    +
    <Algorithm>
    +  <General>
    +    <NSType>  1 </NSType>
    +    <NIType>  1 </NIType>
    +    <NVType>  2 </NVType>
    +    <NXMax>   2 </NXMax>
    +    <WDiag>   0.25 </WDiag>
    +  </General>
    +  ...
    +</Algorithm>
    +
    +
    +
    +
    Algorithm/General/NSType

    The number of site types.

    +
    +
    Algorithm/General/NIType

    The number of interaction types.

    +
    +
    Algorithm/General/NVType

    The number of vertex types.

    +
    +
    Algorithm/General/NXMax

    The maximum number of states on a site. +For example, \(2S+1\) for a spin system with local spin \(S\).

    +
    +
    Algorithm/General/WDiag

    A coefficient to measure correlation functions from the length of worms.

    +
    +
    Algorithm/Site

    This defines a site type, for example, the weight of worm heads on a site. +This has children “SType”, “NumberOfStates”, “VertexTypeOfSource”, and “InitialConfiguration”.

    +
    <Algorithm>
    +  ...
    +  <Site>
    +    <STYPE> 0 </STYPE>
    +    <NumberOfStates> 2 </NumberOfStates>
    +    <LocalStates> -0.5 0.5 </LocalStates>
    +    <VertexTypeOfSource> 0 </VertexTypeOfSource>
    +    <InitialConfiguration>
    +       ...
    +    </InitialConfiguration>
    +    <InitialConfiguration>
    +       ...
    +    </InitialConfiguration>
    +  </Site>
    +  ...
    +</Algorithm>
    +
    +
    +
    +
    Algorithm/Site/SType

    The index of site type.

    +
    +
    Algorithm/Site/NumberOfStates

    The number of states of the site.

    +
    +
    Algorithm/Site/LocalStates

    Mapping from indices of local states to values of states. +For example, the z components of the spin operator in the usual spin case.

    +
    +
    Algorithm/Site/VertexTypeOfSource

    The index of the vertex to be inserted here.

    +
    +
    Algorithm/Site/InitialConfiguration

    The process of pair creation/annihilation of worm heads. +This has children, “State”, “NumberOfChannels”, and “Channel”

    +
    <Algorithm>
    +  ...
    +  <Site>
    +    ...
    +    <InitialConfiguration>
    +      <State> 0 </State>
    +      <NumberOfChannels> 2 </NumberOfChannels>
    +      <Channel> 0 1 0.5 </Channel>
    +      <Channel> 1 1 0.5 </Channel>
    +    </InitialConfiguration>
    +    ...
    +  </Site>
    +  ...
    +</Algorithm>
    +
    +
    +
    +
    Algorithm/Site/InitialConfiguration/State

    The state index of the site without worms (before creation or after annihilation).

    +
    +
    Algorithm/Site/InitialConfiguration/NumberOfChannels

    The number of the channels (result of creation/annihilation).

    +
    +
    Algorithm/Site/InitialConfiguration/Channel

    Channels. +This takes two integers and one floating number.

    +
      +
    • First figure denotes the direction of the worm head ( 0 for negative and 1 for positive in the imaginary time direction).

    • +
    • Second figure denotes the state between worms.

    • +
    • Third figure denotes the probability of this channel.

    • +
    +

    If the result has no worm heads, let both the first and the second integers be -1.

    +
    +
    Algorithm/Interaction

    This defines an interaction. +This has children, “IType”, “VType”, “NBody”, “EBase”, “VertexDensity”, and “Sign”.

    +
    <Algorithm>
    +  ...
    +  <Interaction>
    +    <IType> 0 </IType>
    +    <VType> 1 </VType>
    +    <NBody> 2 </NBody>
    +    <EBase> 0.125 </EBase>
    +    <VertexDensity> 0 0 0.25 </VertexDensity>
    +    <VertexDensity> 1 1 0.25 </VertexDensity>
    +    <Sign> 0 1 1 0 -1.0 </Sign>
    +    <Sign> 1 0 0 1 -1.0 </Sign>
    +  </Interaction>
    +  ...
    +</Algorithm>
    +
    +
    +
    +
    Algorithm/Interaction/IType

    The index of the interaction.

    +
    +
    Algorithm/Interaction/VType

    The index of the vertex to be inserted.

    +
    +
    Algorithm/Interaction/NBody

    The number of sites involved in this interaction. +An onebody interaction such as the Zeeman term has 1 and a twobody interaction such as the exchange coupling has 2. +Three or higher body interaction can be treated.

    +
    +
    Algorithm/Interaction/EBase

    The offset of the local energy. +This value does not contribute to the simulation, but to the value of energy in the final result.

    +
    +
    Algorithm/Interaction/VertexDensity

    The density of vertex to be inserted. +This takes integers as many as “Algorithm/Interaction/NBody” and one preceding floating number. +The integers denote the states of sites (the order should be compatible with the order of sites in “I” of the lattice file). +The last floating number represents the density.

    +
    +
    Algorithm/Interaction/Sign

    The sign of the local weight, \(\textrm{Sgn}(\langle f | -\mathcal{H} | i \rangle)\) . +This takes integers as many as \(2\times\) “Algorithm/Interaction/NBody” and one preceding floating number. +The integers denote the states of sites before and after applying the local Hamiltonian. +The last floating number represents the sign. +If the sign is equal to \(1.0\):, this element (<Sign> ... </Sign>) can be omitted.

    +

    For example, <Sign> 0 1 1 0 -1.0 </Sign> means \(\langle 1 0 | \left(-\mathcal{H}\right) | 0 1 \rangle < 0\).

    +
    +
    Algorithm/Vertex

    This defines a vertex. +This has children, “VType”, “VCategory”, “NBody”, “NumberOfInitialConfigurations”, and “InitialConfiguration”. +Vertices belongs to a category specified by “Algorithm/Vertex/VCategory”.

    +
    <Algorithm>
    +  ...
    +  <Vertex>
    +    <VTYPE> 0 </VTYPE>
    +    <VCATEGORY> 1 </VCATEGORY>
    +    <NBODY> 1 </NBODY>
    +    <NumberOfInitialConfigurations> 4 </NumberOfInitialConfigurations>
    +    <InitialConfiguration>
    +      ...
    +    </InitialConfiguration>
    +    ...
    +    <InitialConfiguration>
    +      ...
    +    </InitialConfiguration>
    +  </Vertex>
    +  ...
    +</Algorithm>
    +
    +
    +
    +
    Algorithm/Vertex/VType

    The index of the vertex.

    +
    +
    Algorithm/Vertex/VCategory
      +
    1. Boundary of imaginary time. Users need not define this.

    2. +
    3. Worm tail.

    4. +
    5. Interaction.

    6. +
    +
    +
    Algorithm/Vertex/NBody

    The number of sites involved.

    +
    +
    Algorithm/Vertex/NumberOfInitialConfigurations

    The number of initial states.

    +
    +
    Algorithm/Vertex/InitialConfiguration
    +

    This defines scattering results of a worm head for each initial states. +“Algorithm/Vertex” should has this elements as many as the number specified by “Algorithm/Vertex/NumberOfInitialConfigurations”. +This has children, “State”, “IncomingDirection”, “NewState”, “NumberOfChannels”, “Channel”.

    +
    <Algorithm>
    +  ...
    +  <Vertex>
    +    ...
    +    <InitialConfiguration>
    +      <State>  1 0 0 1 </State>
    +      <IncomingDirection> 0 </IncomingDirection>
    +      <NewState> 0 </NewState>
    +      <NumberOfChannels> 1 </NumberOfChannels>
    +      <Channel>    3    0       1.0000000000000000 </Channel>
    +    </InitialConfiguration>
    +    ...
    +  </Vertex>
    +  ...
    +</Algorithm>
    +
    +
    +
    +

    This example represents the following scenario;

    +
    +
      +
    • Initial states of bottom-left(0), top-left(0), bottom-right(2), and top-right(3) are 1, 0, 0, and 1, respectively.

    • +
    • A worm head comes from bottom-left(0) and changes the state of this leg to 0.

    • +
    • The worm head will be scattered to leg(3) and the state of outgoing leg will be changed to 0 with the probability 1.

    • +
    +
    +
    +
    Algorithm/Vertex/InitialConfiguration/State

    The initial states of the legs of the vertex. +Since the number of the legs is as twice as the number specified by “Algorithm/Vertex/NBody”, say \(m\), +this takes \(2m\) integers. +Legs are in the same order as the corresponding sites. +For two legs on the same site, the leg with the smaller imaginary time comes first.

    +
    +
    Algorithm/Vertex/InitialConfiguration/IncomingDirection

    The index of the leg from which a worm head comes.

    +
    +
    Algorithm/Vertex/InitialConfiguration/NewState

    The state of the “Algorithm/Vertex/InitialConfiguration/IncomingDirection” leg after a worm head comes.

    +
    +
    Algorithm/Vertex/InitialConfiguration/NumberOfChannels

    The number of scattering channels (final results).

    +
    +
    Algorithm/Vertex/InitialConfiguration/Channel

    A scattering channel. +This takes two integers and one floating number.

    +
      +
    • First figure denotes the index of the leg where the scattered worm head goes out.

    • +
    • Second figure denotes the state of the leg where the scattered worm head goes out after the scattering.

    • +
    • Last figure denotes the probability of this channel.

    • +
    +

    For the special case, the pair-annihilation of worm heads, let both the first and the second integer be -1.

    +
    +
    +
    +
    +

    4.3.5. Wavevector XML file wavevector.xml

    +

    A wavevector XML file is a textfile written in a XML-like format. +This defines the wavevectors to calculate several observables: staggered magnetization

    +
    +\[M^{z}(\vec{k}) \equiv \frac{1}{N} \sum_i e^{-i\vec{k}\vec\vec{r}_i} \left\langle M^{z}_i \right\rangle,\]
    +

    dynamical structure factor

    +
    +\[S^{zz}(\vec{k},\tau) \equiv + \left\langle M^z(\vec{k},\tau)M^z(-\vec{k},0) \right\rangle - \left\langle M^z(\vec{k},\tau)\right\rangle \left\langle M^z(-\vec{k},0)\right\rangle ,\]
    +

    and momentum space temperature Green’s function

    +
    +\[G(\vec{k},\tau) \equiv \left\langle M^+(\vec{k}, \tau) M^-(-\vec{k},0) \right\rangle .\]
    +

    This can be generated from a wavevector datafile via dla_alg.

    +

    A structure factor file has only one element, “WaveVector”, and the other elements are children of this.

    +
    +
    WaveVector

    The root element. +This has children, “Comment”, “NumberOfSites”, “NumberOfWaveVectors” and “RK”.

    +
    +
    WaveVector/Comment

    (Optional) Comment. DSQSS ignores this.

    +
    +
    WaveVector/NumberOfSites

    The number of lattice sites.

    +
    +
    WaveVector/NumberOfWaveVectors

    The number of Wavevectors \(\vec{k}\).

    +
    +
    WaveVector/RK

    The phase factor \(z = \exp{\vec{r}\cdot\vec{k}}\) for a pair of a wave vector and a site. +This takes four figures, “\(\mathrm{Re}z\)”, “\(\mathrm{Im}z\)”, “the index of the site”, “the index of the wave vector”. +“StructureFactor” should has this elements as many as the number specified by “StructureFactor/NumberOfElements”.

    +
    +
    +
    +
    +

    4.3.6. Relative coordinate XML file displacement.xml

    +

    A relative coordinate XML file is a textfile written in a XML-like format. +This defines relative coordinate between two sites, \(\vec{r}_{ij}\), to calculate real space temperature Green’s function,

    +
    +\[G(\vec{r}_{ij},\tau) \equiv \left\langle M_i^+(\tau) M_j^- \right\rangle .\]
    +

    This file can be generated by using dla_alg.

    +

    A relative coordinate XML file has only one element, +“Displacements”, and the other elements belong to this as children.

    +
    +
    Displacements

    The root element. +This has children, “Comment”, “NumberOfKinds”, “NumberOfSites”, and “R”.

    +
    +
    Displacements/Comment

    (Optional) Comment. DSQSS ignores this.

    +
    +
    Displacements/NumberOfSites

    The number of lattice sites.

    +
    +
    Displacements/NumberOfKinds

    The number of relative coordinates.

    +
    +
    Displacements/R

    This takes three integers, “the index of the relative coordinate”, “the index of the site \(i\)”, and “the index of the site \(j\)”. +“CorrelationFunction” should has this elements as many as the number specified by “CorrelationFunction/NumberOfKinds”.

    +
    +
    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/dla/users-manual/input_simple.html b/manual/v2.0.5/en/dla/users-manual/input_simple.html new file mode 100644 index 00000000..fadf0d5e --- /dev/null +++ b/manual/v2.0.5/en/dla/users-manual/input_simple.html @@ -0,0 +1,521 @@ + + + + + + + + 4.1. Simple mode of DSQSS/DLA — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    4.1. Simple mode of DSQSS/DLA

    +

    A simple mode of DSQSS/DLA is the simplest workflow for DSQSS/DLA. +In this mode, users can simulate of a predefined model on a predefined lattice from one text file. +Fig. 4.1 shows a workflow of the simple mode.

    +
    +Simple mode of DSQSS/DLA. +
    +

    Fig. 4.1 Simple mode of DSQSS/DLA. Ellipses are files and rectangles are tools.

    +
    +
    +
    +

    4.1.1. Simple mode file std.toml

    +

    A simple mode file is a textfile written in TOML format. +This is used as an input file of several tools such as dla_pre.

    +
    +

    4.1.1.1. parameter

    +

    A table specifying simulation parameters such as the inverse temperature. +This table is used in dla_pre and dla_pgen.

    +

    Keys in the parameter table are following:

    + ++++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    name

    type

    default

    description

    beta

    double

    Inverse temperature.

    npre

    int

    1000

    The number of Monte Carlo steps in the pre-calculation phase where the number of creation trials of a pair of worms in one Monte Carlo sweep is defined.

    ntherm

    int

    1000

    The number of Monte Carlo sweeps to thermalize the system.

    ndecor

    int

    1000

    The number of Monte Carlo sweeps to reduce autocorrelation time between two preceding sets.

    nmcs

    int

    1000

    The number of Monte Carlo sweeps to calculate mean values of observables.

    nset

    int

    10

    The number of Monte Carlo sets.

    simulationtime

    double

    0.0

    Simulation time in second.

    seed

    int

    198212240

    The seed of the random number generator.

    nvermax

    int

    10000

    The maximum number of vertices.

    nsegmax

    int

    10000

    The maximum number of world-line segments.

    algfile

    string

    algorithm.xml

    The filename of an algorithm file.

    latfile

    string

    lattice.xml

    The filename of a lattice file.

    wvfile

    string

    A wavevector XML file. If it is an empty string, observables as functions of wavevector will not be calculated.

    dispfile

    string

    A relative coordinates XML file. If it is an empty string, observables as functions of relative coordinates will not be calculated.

    outfile

    string

    sample.log

    The name of the main result file.

    sfoutfile

    string

    sf.dat

    The name of the structure factor result file.

    cfoutfile

    string

    cf.dat

    The name of the real space temperature Green’s function output file.

    ckoutfile

    string

    ck.dat

    The name of the momentum space temperature Green’s function output file.

    +
      +
    • About simulationtime

      +
        +
      • When simulationtime > 0.0

      • +
      • DSQSS/DLA loads the checkpoint file and resumes the simulation if the checkpoint file exists. +- If not, DSQSS/DLA starts a new simulation.

      • +
      • After the time specified by “simulationtime” (in seconds) has elapsed, DSQSS/DLA saves the state of the simulation into the checkpoint file and halts the simulation.

      • +
      • The name of the checkpoint file is that of the main result file with a suffix “.cjob”.

      • +
      • When simulationtime <= 0.0

        +
          +
        • The checkpoint file is ignored. DSQSS/DLA never saves nor loads it.

        • +
        +
      • +
      +
    • +
    +
    +
    +

    4.1.1.2. lattice

    +

    A table specifying information of lattice. +This is used in dla_pre and dla_latgen.

    +

    Keys in the lattice table are following:

    + ++++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    name

    type

    default

    description

    lattice

    string

    The type of lattice.

    dim

    int

    Dimension.

    L

    list(int) or int

    The size of the lattice. Specified by an integer or a list of integers. If the number of elements is less than the dimension, missing elements are filled by the last element of the given list.

    bc

    list(bool) or bool

    true

    The boundary condition of the lattice. Specified by a boolean or a list of booleans. true means the periodic boundary condition, false means the open boundary condition.

    +

    Available lattices are following.

    +
    +
    hypercubic

    A hyper cubic lattice with arbitrary dimension. +By using bc, users can generate ladder or slab lattices.

    +
    +
    triangular

    A two dimensional triangular lattice.

    +
    +
    honeycomb

    A two dimensional honeycomb lattice.

    +
    +
    kagome

    A two dimensional kagome lattice.

    +
    +
    +
    +
    +

    4.1.1.3. hamiltonian

    +

    A table specifying information of Hamiltonian. +This table is used in dla_pre and dla_hamgen.

    +

    Keys in the hamiltonian table are following:

    + ++++++ + + + + + + + + + + + + + + + + + + + +

    name

    type

    default

    description

    model

    string

    The type of the model. ‘spin’ means XXZ spin model and ‘boson’ means Bose-Hubbard model.

    M

    int

    1

    For XXZ model twice as the length of the local spin, \(M=2S\), and for Bose-Hubbard model the cutoff of the number of particles on a site.

    +

    XXZ model

    +
    +\[\mathcal{H} = \sum_{\langle i, j \rangle} -J_z S_i^z S_j^z -\frac{J_{xy}}{2} \left( S_i^+ S_j^- + S_i^- S_j^+ \right) ++ D \sum_i \left(S_i^z\right)^2 +- h \sum_i S_i^z\]
    +

    has the following parameters:

    + ++++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    name

    type

    default

    description

    Jz

    list(float) or float

    0.0

    The exchange interaction. Positive for ferromagnetic and negative for antiferromagnetic.

    Jxy

    list(float) or float

    0.0

    The exchange interaction. Positive for ferromagnetic and negative for antiferromagnetic.

    D

    list(float) or float

    0.0

    The onsite uniaxial anisotropy.

    h

    list(float) or float

    0.0

    The magnetic field.

    +

    Bose-Hubbard model

    +
    +\[\mathcal{H} = \sum_{\langle i, j \rangle} \left[ -t b_i^\dagger \cdot b_j + h.c. + V n_i n_j \right] + \sum_i \left[ \frac{U}{2} n_i(n_i-1) - \mu n_i \right]\]
    +

    has the following parameters:

    + ++++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    name

    type

    default

    description

    t

    list(float) or float

    0.0

    The hopping parameter.

    V

    list(float) or float

    0.0

    The offsite interaction. Positive for repulsion and negative for attraction.

    U

    list(float) or float

    0.0

    The onsite interaction. Positive for repulsion and negative for attraction.

    mu

    list(float) or float

    0.0

    The chemical potential.

    +
    +
    +

    4.1.1.4. kpoints

    +

    A table specifying information of wavevectors. +This table is used in dla_pre and dla_wvgen.

    +

    Keys in the kpoints table are following:

    + ++++++ + + + + + + + + + + + + + + +

    name

    type

    default

    description

    ksteps

    list(int) or int

    0

    Increments of wavenumber. If 0, half of lattice size instead of 0 is set.

    +
    +
    +

    4.1.1.5. algorithm

    +

    A table specifying algorithm for calculating scattering probability of wormheads. +This table is used in dla_pre.

    +

    Keys in the algorithm table are following:

    + ++++++ + + + + + + + + + + + + + + +

    name

    type

    default

    description

    kernel

    string

    ‘suwa todo’

    Algorithm for calculating the scattering probability of wormheads.

    +

    Available kernel s are following:

    +
    +
    suwa todo

    Rejection minimized algorithm without detailed balance condition (irreversible) proposed by Suwa and Todo. +(H. Suwa and S. Todo, PRL 105, 120603 (2010))

    +
    +
    reversible suwa todo

    Rejection minimized algorithm with detailed balance condition (reversible) proposed by Suwa and Todo. +(arXiv:1106.3562)

    +
    +
    heat bath

    Heat bath method (Gibbs sampler).

    +
    +
    metropolis

    Metropolis-Hastings algorithm.

    +
    +
    +
    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/dla/users-manual/input_standard.html b/manual/v2.0.5/en/dla/users-manual/input_standard.html new file mode 100644 index 00000000..d394185e --- /dev/null +++ b/manual/v2.0.5/en/dla/users-manual/input_standard.html @@ -0,0 +1,657 @@ + + + + + + + + 4.2. Standard input files for DSQSS/DLA — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    4.2. Standard input files for DSQSS/DLA

    +

    In the standard model of DSQSS/DLA, users can define their own models and lattices. +Of course, they can be combined with predefined ones. +Fig. 4.2 shows a workflow of the standard mode.

    +
    +Standard mode of DSQSS/DLA. +
    +

    Fig. 4.2 Standard mode of DSQSS/DLA. Ellipses are files and rectangles are tools.

    +
    +
    +
    +

    4.2.1. List of files

    + ++++ + + + + + + + + + + + + + + +

    lattice.dat

    lattice datafile.

    lattice.toml

    lattice TOML file.

    hamiltonian.toml

    Hamiltonian TOML file.

    kpoints.dat

    Wavevector file.

    +
    +
    +

    4.2.2. Lattice datafile

    +

    A lattice datafile is a textfile describing information of space (lattice), such as the number of sites and links connecting some sites. +This file is used as an input file of dla_alg.

    +

    From # mark to the end of the line is a comment and ignored. +A blank line is also ignored. +A “list” is written as space separated elements in one line like 2 2.

    +

    The lattice datafile includes the five sections, +name, lattice, directions, sites, interactions.

    +
    +
    name

    A string denoting the name of lattice. +This is just a comment or a marker, and will not be used.

    +
    +
    lattice

    The section specifying general information of lattice.

    +
      +
    • +
      First line
        +
      • An integer denoting dimension of the lattice.

      • +
      +
      +
      +
    • +
    • +
      Second line
        +
      • A list of integers denoting the size of the lattice.

      • +
      +
      +
      +
    • +
    • +
      Third line
        +
      • A list of integers denoting the boundary condition of the lattice. 1 means the periodic boundary condition and 0 means the open one.

      • +
      +
      +
      +
    • +
    • +
      Rest
        +
      • A list of figures denoting the primitive translation vector \(\vec{e}^i\). +The first integer means the index of the vector \(i\) and the rest floating point numbers mean coordinates of the vector in Cartesian, \(e_d^i\).

      • +
      +
      +
      +
    • +
    +
    +
    directions

    The section specifying directions of bonds (two-body interactions.)

    +
      +
    • +
      First line
        +
      • An integer denoting the number of the directions.

      • +
      +
      +
      +
    • +
    • +
      Rest
        +
      • A list of figures denoting the a direction. +The first integer means the index of the direction and the rest floating point numbers mean coordinates. +The coordinates is represented by using the basis specified in lattice.

      • +
      +
      +
      +
    • +
    +
    +
    sites

    The section specifying sites.

    +
      +
    • +
      First line
        +
      • An integer denoting the number of the sites.

      • +
      +
      +
      +
    • +
    • +
      Rest
        +
      • A list of figures denoting a site. +The first two integers mean the index and the type of the site, respectively. +The rest floating point numbers mean the coordinates in the basis specified in lattice.

      • +
      +
      +
      +
    • +
    +
    +
    interactions

    The section specifying interactions.

    +
      +
    • +
      First line
        +
      • An integer denoting the number of the interactions.

      • +
      +
      +
      +
    • +
    • +
      Rest
        +
      • A list of \(N = \text{involved sites} + 5\) integers. The details are following.

      • +
      +
      +
      +
    • +
    +
    +
    + ++++ + + + + + + + + + + + + + + + + + + + + + + + + + +

    column

    description

    1

    The index of the interaction.

    2

    The type of the interaction.

    3

    The number of involved sites.

    4 … (N-2)

    The indices of the involved sites.

    N-1

    If the bond crosses the boundary, this is 1. Otherwise, 0.

    N

    The index of the direction.

    +

    The following is an example describing \(4 \times 4\) square lattice:

    +
    name
    +2 dimensional hypercubic lattice
    +
    +lattice
    +2 # dim
    +4 4 # size
    +1 1 # 0:open boundary, 1:periodic boundary
    +0 1.0 0.0 # latvec_0
    +1 0.0 1.0 # latvec_1
    +
    +directions
    +2 # ndirections
    +# id, coords...
    +0 1.0 0.0
    +1 0.0 1.0
    +
    +sites
    +16 # nsites
    +# id, type, coord...
    +0 0 0 0
    +1 0 1 0
    +2 0 2 0
    +3 0 3 0
    +4 0 0 1
    +5 0 1 1
    +6 0 2 1
    +7 0 3 1
    +8 0 0 2
    +9 0 1 2
    +10 0 2 2
    +11 0 3 2
    +12 0 0 3
    +13 0 1 3
    +14 0 2 3
    +15 0 3 3
    +
    +interactions
    +32 # nints
    +# id, type, nbody, sites..., edge_flag, direction
    +0 0 2 0 1 0 0
    +1 0 2 0 4 0 1
    +2 0 2 1 2 0 0
    +3 0 2 1 5 0 1
    +4 0 2 2 3 0 0
    +5 0 2 2 6 0 1
    +6 0 2 3 0 1 0
    +7 0 2 3 7 0 1
    +8 0 2 4 5 0 0
    +9 0 2 4 8 0 1
    +10 0 2 5 6 0 0
    +11 0 2 5 9 0 1
    +12 0 2 6 7 0 0
    +13 0 2 6 10 0 1
    +14 0 2 7 4 1 0
    +15 0 2 7 11 0 1
    +16 0 2 8 9 0 0
    +17 0 2 8 12 0 1
    +18 0 2 9 10 0 0
    +19 0 2 9 13 0 1
    +20 0 2 10 11 0 0
    +21 0 2 10 14 0 1
    +22 0 2 11 8 1 0
    +23 0 2 11 15 0 1
    +24 0 2 12 13 0 0
    +25 0 2 12 0 1 1
    +26 0 2 13 14 0 0
    +27 0 2 13 1 1 1
    +28 0 2 14 15 0 0
    +29 0 2 14 2 1 1
    +30 0 2 15 12 1 0
    +31 0 2 15 3 1 1
    +
    +
    +
    +
    +

    4.2.3. Lattice TOML file lattice.toml

    +

    A lattice TOML file is a TOML formatted file defining a lattice by using an unitcell and primitive translation vectors. +This is used as an input file of dla_alg.

    +

    This has two tables, parameter and unitcell.

    +
    +
    parameter
    +

    A table denoting general information of the lattice.

    +
    +
    name

    A string denoting the name of lattice.

    +
    +
    +
    +
    +
    dim
    +

    An integer denoting the dimension of lattice.

    +
    +
    +
    L

    An array of integers denoting the size of lattice.

    +
    +
    bc

    An array of booleans denoting the boundary condition of lattice. +true means the periodic boundary condition and false means the open one.

    +
    +
    basis

    An two-dimensional array (array of array) of floating point numbers denoting the primitive translation vectors.

    +
    +
    +
    +
    +
    +
    unitcell

    A table describing a unitcell.

    +
    +
    sites

    An array of tables denoting sites in one unitcell. +One table corresponding one site.

    +
    +
    siteid

    An integer denoting the local index of the site in one unitcell.

    +
    +
    type

    An integer denoting the type of the site.

    +
    +
    coord

    An array of floating point numbers denoting the coordinate of site in one unitcell.

    +
    +
    +
    +
    bonds

    An array of tables denoting bonds in one unitcell. +One table corresponding one bond.

    +
    +
    bondid

    An integer denoting the local index of the bond in one unitcell.

    +
    +
    type

    An integer denoting the type of the bond.

    +
    +
    source

    A table denoting an end (source site) of the bond.

    +
    +
    siteid

    An integer denoting the local index of the source site.

    +
    +
    +
    +
    target

    A table denoting the other end (target site) of the bond.

    +
    +
    siteid

    An integer denoting the local index of the target site.

    +
    +
    offset

    An array of integers denoting the relative coordinate of the unitcell where the target site belongs +from the unitcell where the source site belongs.

    +
    +
    +
    +
    +
    +
    +
    +
    +

    The following is an example describing two dimensional square lattice.

    +
    [parameter]
    +name = "square lattice"
    +dim = 2
    +L = [4,4]
    +bc = [true, true]
    +basis = [[1,0], [0,1]]
    +
    +[unitcell]
    +
    +[[unitcell.sites]]
    +siteid = 0
    +type = 0
    +coord = [0,0]
    +
    +[[unitcell.bonds]]
    +bondid = 0
    +type = 0
    +source = { siteid = 0 }
    +target = { siteid = 0, offset = [1,0] }
    +[[unitcell.bonds]]
    +bondid = 1
    +type = 0
    +source = { siteid = 0 }
    +target = { siteid = 0, offset = [0,1] }
    +
    +
    +
    +
    +

    4.2.4. Hamiltonian TOML file

    +

    A Hamiltonian TOML file is a TOML formatted file describing the local Hamiltonian. +This file is used as an input file of dla_alg. +A utility tool dla_hamgen generates Hamiltonian file for common models, XXZ spin model and Bose-Hubbard model.

    +
    +
    name

    A string denoting the name of the Hamiltonian.

    +
    +
    sites

    An array of tables denoting the site Hamiltonians. +One table corresponds to one type of site hamiltonian.

    +
    +
    type

    An integer denoting the type of site Hamiltonian.

    +
    +
    N

    An integer denoting the number of states of the local degree of freedom. +For example, for \(S=1/2\) spin this is 2.

    +
    +
    values

    An array of floating point numbers denoting the elements of local basis such as \(S^z\).

    +
    +
    elements

    An array of tables denoting the elements of the Hamiltonian matrix. +One table corresponds to one element.

    +
    +
    istate

    An integer denoting the index of the initial state (before the Hamiltonian acts on.)

    +
    +
    fstate

    An integer denoting the index of the final state (after the Hamiltonian acts on.)

    +
    +
    value

    A floating point number denoting the matrix element.

    +
    +
    +
    +
    sources

    An array of tables denoting the elements of the source Hamiltonian matrix, which is introduced to create and annihilate worm heads. +One table corresponds to one element.

    +
    +
    istate

    An integer denoting the index of the initial state (before the Hamiltonian acts on.)

    +
    +
    fstate

    An integer denoting the index of the final state (after the Hamiltonian acts on.)

    +
    +
    value

    A floating point number denoting the matrix element.

    +
    +
    +
    +
    +
    +
    interactions

    An array of tables denoting the many-body interaction Hamiltonians. +One table corresponds to one type of interaction.

    +
    +
    type

    An integer denoting the type of interaction.

    +
    +
    nbody

    An integer denoting the number of involved sites.

    +
    +
    N

    An array of integers denoting the number of local states on the involved sites.

    +
    +
    elements

    An array of tables denoting the elements of the Hamiltonian matrix. +One table corresponds to one element.

    +
    +
    istate

    An array of integers denoting the index of the initial state (before the Hamiltonian acts on.)

    +
    +
    fstate

    An array of integers denoting the index of the final state (after the Hamiltonian acts on.)

    +
    +
    value

    A floating point number denoting the matrix element.

    +
    +
    +
    +
    +
    +
    +

    The following is an example describing \(S=1/2\) antiferromagnetic Heisenberg spin model

    +
    name = "S=1/2 XXZ model"
    +[[sites]]
    +id = 0
    +N = 2
    +values = [-0.5, 0.5]
    +[[sites.elements]]
    +istate = 0
    +fstate = 0
    +value = 0.5
    +
    +[[sites.elements]]
    +istate = 1
    +fstate = 1
    +value = -0.5
    +
    +[[sites.sources]]
    +istate = 0
    +fstate = 1
    +value = 0.5
    +
    +[[sites.sources]]
    +istate = 1
    +fstate = 0
    +value = 0.5
    +
    +
    +[[interactions]]
    +id = 0
    +nbody = 2
    +N = [ 2, 2]
    +[[interactions.elements]]
    +istate = [ 0, 0]
    +fstate = [ 0, 0]
    +value = 0.25
    +
    +[[interactions.elements]]
    +istate = [ 0, 1]
    +fstate = [ 0, 1]
    +value = -0.25
    +
    +[[interactions.elements]]
    +istate = [ 0, 1]
    +fstate = [ 1, 0]
    +value = 0.5
    +
    +[[interactions.elements]]
    +istate = [ 1, 0]
    +fstate = [ 1, 0]
    +value = -0.25
    +
    +[[interactions.elements]]
    +istate = [ 1, 0]
    +fstate = [ 0, 1]
    +value = 0.5
    +
    +[[interactions.elements]]
    +istate = [ 1, 1]
    +fstate = [ 1, 1]
    +value = 0.25
    +
    +
    +
    +
    +

    4.2.5. Wavevector datafile

    +

    A wavevector datafile is a textfile describing wavevectors

    +
    +\[\vec{k}^{(i)} = \sum_{d=1}^{D} k_d^{(i)} \vec{g}_d,\]
    +

    where \(\vec{g}\) is the set of the reciprocal vectors.

    +

    From # mark to the end of the line is a comment and ignored. +A blank line is also ignored. +A “list” is written as space separated elements in one line like 2 2.

    +

    The wavevector datafile includes the two sections, dim and kpoints.

    +
    +
    dim

    An integer denoting the dimension of the lattice.

    +
    +
    kpoints

    A section describing wavevectors.

    +
      +
    • +
      First line
        +
      • An integer denoting the number of wavevectors.

      • +
      +
      +
      +
    • +
    • +
      Rest
        +
      • A list of integers denoting the wavevector. +The first integer means the index of the wavevector. +The rest integers means the coordinates of the wavevector, \(k_d\).

      • +
      +
      +
      +
    • +
    +
    +
    +

    Wavevectors are represented by using the reciprocal vectors \(\vec{g}\). +When the coordinate of a lattice site is \(\vec{r} = \sum r_d \vec{e}_d\) and +the wavevector is \(\vec{k} = \sum k_d \vec{g}_d\), +the innerproduct of them is \(\vec{r}\cdot\vec{k} = \sum_d 2\pi r_d k_d / L_d\), +where \(L_d\) is the length of the lattice along \(d\) th dimension.

    +

    The inner product between the coordinate \(\vec{r} = \sum r_d \vec{e}_d\) and +the wavevector \(\vec{k} = \sum k_d \vec{g}_d\) is +\(\vec{r}\cdot\vec{k} = \sum_d 2\pi r_d k_d / L_d\), +where \(L_d\) is the size of lattice along \(d\) th dimension.

    +

    The following is an example of two dimensional case.

    +
    dim
    +2
    +
    +kpoints
    +3
    +0 0 0
    +1 2 0
    +2 4 0
    +
    +
    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/dla/users-manual/output.html b/manual/v2.0.5/en/dla/users-manual/output.html new file mode 100644 index 00000000..30db63f5 --- /dev/null +++ b/manual/v2.0.5/en/dla/users-manual/output.html @@ -0,0 +1,372 @@ + + + + + + + + 4.6. Output of DSQSS/DLA — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    4.6. Output of DSQSS/DLA

    +
    +

    4.6.1. Format

    +

    DSQSS/DLA generates the result of a simulation as a plain-text file. +The first character stands for the meaning of the line.

    +
    +
    P <name> = <value>

    Parameters read from the input files.

    +
    +
    R <name> = <mean> <error>

    Results of observables. <mean> denotes the expected value and <error> denotes the statistical error of <mean>.

    +
    +
    I <text> = <value>

    Other information.

    +
    +
    C <text>

    Comments.

    +
    +
    +

    The following one is a result of an antiferromagnetic Heisenberg chain.

    +
    C This is DSQSS ver.v2.0.0
    +
    +I N_PROC = 1
    +P D       =            1
    +P L       =            8
    +P BETA    =      10.0000000000000000
    +P NSET    =           10
    +P NPRE    =         1000
    +P NTHERM  =         1000
    +P NDECOR  =         1000
    +P NMCS    =         1000
    +P SEED    =    198212240
    +P NSEGMAX =        10000
    +P NVERMAX =        10000
    +P BETA    = 10.000000000000
    +P NTAU    =           10
    +P NCYC    =            7
    +P ALGFILE = algorithm.xml
    +P LATFILE = lattice.xml
    +P WVFILE = wv.xml
    +P DISPFILE  = disp.xml
    +P OUTFILE    = sample.log
    +P CFOUTFILE  = cf.dat
    +P SFOUTFILE  = sf.dat
    +P CKOUTFILE  = ck.dat
    +P SIMULATIONTIME   =     0.000000
    +R sign = 1.00000000e+00 0.00000000e+00
    +R anv = 3.03805000e+00 1.25395375e-02
    +R ene = -4.55991910e-01 1.20267537e-03
    +R spe = -1.76672204e-02 4.09064489e-02
    +R som = -1.76672204e-01 4.09064489e-01
    +R len = 1.20014021e+01 4.78403202e-02
    +R xmx = 3.00035053e-01 1.19600800e-03
    +R amzu = -2.00000000e-04 1.08972474e-04
    +R bmzu = -2.00000000e-04 1.08972474e-04
    +R smzu = 1.32382500e-03 1.40792745e-04
    +R xmzu = 1.32382500e-02 1.40792745e-03
    +R ds1 = -1.32954309e-03 7.87178338e-04
    +R wi2 = 2.31040000e+01 3.83762890e-01
    +R rhos = 1.44400000e-01 2.39851806e-03
    +R rhof = inf nan
    +R comp = 2.43165481e+35 1.71412709e+35
    +R amzs0 = -2.00000000e-04 1.08972474e-04
    +R bmzs0 = 1.65625000e-04 1.76161818e-05
    +R smzs0 = 1.32382500e-03 1.40792745e-04
    +R xmzs0 = 1.32382500e-02 1.40792745e-03
    +R amzs1 = -9.25000000e-04 4.02247160e-03
    +R bmzs1 = 1.09209375e-01 1.12051866e-03
    +R smzs1 = 8.72503175e-01 8.93939492e-03
    +R xmzs1 = 3.00500011e+00 2.99056535e-02
    +R time = 1.03679300e-07 1.22794234e-09
    +I [the maximum number of segments]          = 123
    +I [the maximum number of vertices]          = 66
    +I [the maximum number of reg. vertex info.] = 3
    +
    +
    +
    +

    4.6.1.1. Notations

    +
    +
    \(N_s\)

    The number of sites.

    +
    +
    \(Q(\vec{k})\)

    The Fourier transformation of an arbitrary operator on a site \(i\), \(Q_i\).

    +

    \(\displaystyle Q(\vec{k}) \equiv \frac{1}{\sqrt{N_s}} \sum_i^{N_s} Q_i e^{-i\vec{r}_i\cdot\vec{k}}\)

    +
    +
    \(Q(\tau)\)

    An arbitrary operator at imaginary time \(\tau\).

    +

    \(\displaystyle Q(\tau) \equiv \exp\left[\tau \mathcal{H}\right] Q(\tau=0) \exp\left[-\tau \mathcal{H}\right]\)

    +
    +
    \(\tilde{Q}\)

    The average of an arbitrary operator \(Q\) over the imaginary time, +\(\displaystyle \frac{1}{\beta}\int_0^\beta \! \mathrm{d} \tau Q(\tau)\)

    +
    +
    \(M^z\)

    The component of a local degree of freedom along with the quantized axis. +For example, \(z\) component of the local spin operator \(S^z\) for spin systems +and the number operator \(n\) for the Bose-Hubbard models.

    +
    +
    \(M^\pm\)

    The ladder operator. +\(M^{\pm} \equiv S^\pm\) for spin systems, and +the creation/annihilation operators \(M^+ \equiv b^\dagger\) , \(M^- \equiv b\) for the Bose-Hubbard models.

    +
    +
    \(M^x\)

    The off-diagonal order parameter. +\(M^x \equiv (S^+ + S^-)/2\) for spin systems and +\(M^x \equiv (b + b^\dagger)\) for the Bose-Hubbard models.

    +
    +
    \(T\)

    The temperature.

    +
    +
    \(\beta\)

    The inverse temperature.

    +
    +
    \(E_0\)

    The imaginary time average of the expectation value of the unperturbed Hamiltonian +\(\displaystyle \frac{1}{\beta}\int d\tau \langle \phi(\tau)|\mathcal{H}_0|\phi(\tau)\rangle\).

    +
    +
    \(N_v\)

    The number of vertices, i.e., the order of the perturbation.

    +
    +
    \(h\)

    The conjugate field to the operator \(M^z\) . +The longitudinal magnetic field for spin systems and the chemical potential for the Bose-Hubbard models.

    +
    +
    \(\left\langle Q \right\rangle\)

    The expectation value of an arbitrary operator \(Q\) over the grand canonical ensemble.

    +
    +
    +
    +
    +
    +

    4.6.2. Main results

    +

    Main results are written in a file with the name specified by outfile keyword in the input parameter file.

    +

    NOTICE: In general, Monte Carlo simulations have systematic errors of \(O(1/N)\) with respect to the number of samples \(N\) (nmcs) for the expectation values including nonlinear functions of the sample average like the specific heat and the susceptibility. +For example, in the region where the specific heat becomes very small, e.g., in the low-temperature region below the energy gap, the calculated value may be negative. +For precise analysis, we need to take into account not only the statistical errors but also the systematic errors.

    +
    +
    sign

    The sign of the weights.

    +

    \(\sum_i W_i / \sum_i |W_i\)

    +
    +
    anv

    The number of the vertices per site.

    +

    \(\displaystyle \frac{\langle N_v \rangle}{N_s}\)

    +
    +
    ene

    The energy density (energy per site)

    +

    \(\displaystyle \epsilon \equiv \frac{1}{N_s}\left(E_0 - T\langle N_v\rangle\right)\)

    +
    +
    spe

    The specific heat

    +

    \(\displaystyle C_V \equiv \frac{\partial \epsilon}{\partial T} = \frac{1}{N_s T^2} \left[\left\langle\left(E_0 - TN_v\right)^2\right\rangle - \left\langle\left(E_0 - TN_v\right)\right\rangle^2 - T^2\left\langle N_v \right\rangle\right]\)

    +
    +
    som

    The ratio of the specific heat and the temperature.

    +

    \(\displaystyle \gamma \equiv \frac{C_V}{T} = \beta C_V\)

    +
    +
    len

    The mean length of worm

    +
    +
    xmx

    The transverse susceptibility

    +
    +
    amzu

    The “magnetization” (uniform, \(\tau=0\)).

    +

    \(\left\langle m^z \right\rangle\) , where +\(\displaystyle m^z \equiv \frac{1}{N_s} \sum_i^{N_s} M^z_i\)

    +
    +
    bmzu

    The “magnetization” (uniform, average over \(\tau\)). \(\left\langle \tilde{m}^z \right\rangle\) .

    +
    +
    smzu

    The structure factor (uniform).

    +

    \(\displaystyle S^{zz}(\vec{k}=0) \equiv \frac{1}{N_s} +\sum_{i, j} e^{i \vec{k}\cdot(\vec{r}_i-\vec{r}_j)} \left[ +\left\langle M^z_i M^z_j\right\rangle +- \left\langle M_i^z \right\rangle \left\langle M_j^z \right\rangle +\right] \Bigg|_{\vec{k}=0} += +N_s \left[ \left\langle (m^z)^2\right\rangle +- \left\langle m^z\right\rangle^2 \right]\)

    +
    +
    xmzu

    The longitudinal susceptibility (uniform).

    +

    \(\displaystyle \chi^{zz}(\vec{k}=0, \omega=0) \equiv +\frac{\partial \left\langle \tilde{m}^z \right\rangle}{\partial h} = +\beta N_s\left[ \left\langle \left(\tilde{m}^z\right)^2\right\rangle +- \left\langle \tilde{m}^z\right\rangle^2 \right]\)

    +
    +
    amzsK

    The “magnetization” (“staggered”, \(\tau=0\))

    +

    \(\left\langle m_s^z \right\rangle\) where +\(\displaystyle m_K^z \equiv \frac{1}{N_s} \sum_i^{N_s} M_i^z \cos\left( \vec{k}\cdot\vec{r_i} \right)\) .

    +

    \(K\) is an index of wavevector \(k\) specified in the wavevector XML file.

    +
    +
    bmzu

    The “magnetization” (“staggered”, average over \(\tau\)). +\(\left\langle \tilde{m}_K^z \right\rangle\) .

    +
    +
    smzs

    The structure factor (“staggered”).

    +

    \(\displaystyle S^{zz}(\vec{k}) = N_s \left[ \left\langle (m_K^z)^2 \right\rangle - \left\langle m_K^z \right\rangle^2 \right]\)

    +
    +
    xmzs

    The longitudinal susceptibility (“staggered”).

    +

    \(\displaystyle \chi^{zz}(\vec{k}, \omega=0) += \beta N_s \left[\left\langle (\tilde{m}_K^z)^2 \right\rangle - \left\langle \tilde{m}_K^z \right\rangle^2 \right]\)

    +
    +
    ds1

    The derivative of the “magnetization” (amzu) with respect to the temperature.

    +

    \(\displaystyle T\frac{\partial \left\langle \tilde{m}^z \right\rangle}{\partial T} = -\beta\frac{\partial \left\langle \tilde{m}^z \right\rangle}{\partial\beta}\)

    +
    +
    wi2

    The winding number.

    +

    \(\displaystyle W^2 = \sum_{d=1}^D L_d^2 \left\langle W_d^2 \right\rangle\)

    +
    +
    rhos

    The superfluid density.

    +

    \(\displaystyle \rho_s = \frac{W^2}{2DV\beta}\)

    +
    +
    rhof

    The superfluid fraction.

    +

    \(\displaystyle \frac{\rho_s}{\left\langle m^z \right\rangle}\)

    +
    +
    comp

    The compressibility.

    +

    \(\displaystyle \frac{\chi^{zz}(\vec{k}=0,\omega=0)} {\left\langle \tilde{m}^z \right\rangle^2}\)

    +
    +
    time

    The time in a Monte Carlo sweep (in seconds.)

    +
    +
    +
    +
    +

    4.6.3. Structure factor output

    +

    The structure factor is written into a file with the name specified by sfoutfile keyword in the input file. +The structure factor is defined as the following:

    +
    +\[S^{zz}(\vec{k}, \tau) \equiv +\left\langle M^z(\vec{k}, \tau) M^z(-\vec{k}, 0) \right\rangle +- \left\langle M^z(\vec{k}, \tau)\right\rangle \left\langle M^z(-\vec{k}, 0)\right\rangle\]
    +

    Wave vector \(\vec{k}\) and imaginary time \(\tau\) are specified by the name C<k>t<t> as the following:

    +
    R C0t0 = 1.32500000e-03 1.40929454e-04
    +R C0t1 = 1.32500000e-03 1.40929454e-04
    +R C1t0 = 7.35281032e-02 3.18028565e-04
    +
    +
    +

    where <k> is an index of the wave vector specified by kindex (the last element of each RK tag) in the wavevector XML file +and <t> is an index of the discretized imaginary time.

    +
    +
    +

    4.6.4. Real space temperature Green’s function output

    +

    The real space temperature Green’s function is written into a file with the name specified by cfoutfile keyword in the input file. +The real space temperature Green’s function is defined as the following:

    +
    +\[G(\vec{r}_{ij}, \tau) \equiv \left\langle M_i^+(\tau) M_j^- \right\rangle\]
    +

    Displacement \(\vec{r}_{ij}\) and imaginary time \(\tau\) are specified by the name C<k>t<t> as the same way of structure factor, +where <k> is an index of the displacement specified by kind (the first element of each R tag) in the relative coordinate XML file, +and <t> is an index of the discretized imaginary time.

    +

    NOTE: The current version, this works only for \(S=1/2\) model.

    +
    +
    +

    4.6.5. Momentum space temperature Green’s function output

    +

    The momentum space temperature Green’s function is written into a file with the name specified by ckoutfile keyword in the input file. +The momentum space temperature Green’s function is defined as the following:

    +
    +\[G(\vec{k}, \tau) \equiv \left\langle M^+(\vec{k}, \tau) M^-(-\vec{k}, 0) \right\rangle\]
    +

    Wave vector \(\vec{r}_{ij}\) and imaginary time \(\tau\) are specified by the name C<k>t<t> as the same way of structure factor, +where <k> is an index of the displacement specified by kind (the last element of each RK tag) in the wavevector XML file, +and <t> is an index of the discretized imaginary time.

    +

    NOTE: The current version, this works only for \(S=1/2\) model.

    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/dsqss/about_dsqss.html b/manual/v2.0.5/en/dsqss/about_dsqss.html new file mode 100644 index 00000000..48f932e2 --- /dev/null +++ b/manual/v2.0.5/en/dsqss/about_dsqss.html @@ -0,0 +1,198 @@ + + + + + + + + 1. About DSQSS — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    1. About DSQSS

    +
    +

    1.1. Overview

    +

    DSQSS is a program package for solving quantum many-body problems defined on lattices. It is based on the quantum Monte Carlo method in Feynman’s path integral representation. It covers a broad range of problems written by flexible input files that define arbitrary unit cells in arbitrary dimensions and arbitrary matrix elements of the interactions among arbitrary number of degrees of freedom.

    +

    For example, you can perform finite temperature calculation of XXZ spin model by specifying parameters such as dimension, size of lattice, anisotropic coupling constants, length of spin, strength of magnetic field, and temperature. You can calculate Bose-Hubbard model as well as quantum spin model. PMWA (Parallel Multi Worm Algorithm) suits for large-scale non-trivial parallel calculation by domain parallelization.

    +

    DSQSS consists of the following subpackages.

    +
      +
    • serial (dla)

      +
      +
        +
      1. Input files generator: dla_pre

      2. +
      3. Hamiltonian file generator: dla_hamgen

      4. +
      5. Lattice file generator: dla_latgen

      6. +
      7. Algorithm file generator: dla_alg

      8. +
      9. QMC engines (directed loop algorithm): dla

      10. +
      +
      +
    • +
    • non-trivial parallel (pmwa)

      +
      +
        +
      1. Input files generator: pmwa_pre

      2. +
      3. Lattice file generator: lattgene_P

      4. +
      5. QMC engines (multiworm): pmwa_H ( XXZ spin model), pmwa_B (Hard core Boson)

      6. +
      +
      +
    • +
    +
    +
    +

    1.2. Developers

    +

    2018/10/19

    +
      +
    • Yasuyuki Kato (Univ. of Tokyo)

    • +
    • Naoki Kawashima (ISSP)

    • +
    • Kota Sakakura (NEC)

    • +
    • Takafumi Suzuki (Hyogo Univ.)

    • +
    • Kenji Harada (Kyoto Univ.)

    • +
    • Akiko Masaki (Hitachi Research Laboratory)

    • +
    • Yuichi Motoyama (ISSP)

    • +
    • Kazuyoshi Yoshimi (ISSP)

    • +
    +
    +
    +

    1.3. Collaborators

    +

    2018/10/19

    +
      +
    • Tsuyoshi Okubo (Univ. of Tokyo)

    • +
    • Takeo Kato (ISSP)

    • +
    +
    +
    +

    1.4. License

    +
      +
    • GNU General Public License (GPL)

    • +
    • The users are kindly requested to cite the following paper in their publication, if any, based on the software.

    • +
    + +
    +
    +

    1.5. Acknowledgment

    +

    Development of this software was and is being supported by K-computer project, post-K computer projects and “Project for advancement of software usability in materials science” by ISSP.

    +
    +
    +

    1.6. Contact

    +

    Write topics to GitHub’s issues or send the e-mail to the following mailing list +dsqss-dev@issp.u-tokyo.ac.jp

    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/dsqss/index.html b/manual/v2.0.5/en/dsqss/index.html new file mode 100644 index 00000000..4ca4e467 --- /dev/null +++ b/manual/v2.0.5/en/dsqss/index.html @@ -0,0 +1,133 @@ + + + + + + + + <no title> — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + +
    + + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/dsqss/install.html b/manual/v2.0.5/en/dsqss/install.html new file mode 100644 index 00000000..6646b14f --- /dev/null +++ b/manual/v2.0.5/en/dsqss/install.html @@ -0,0 +1,234 @@ + + + + + + + + 2. How to install — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    2. How to install

    +
    +

    2.1. Requirements

    +
      +
    • (Optional) MPI (essential for PMWA)

    • +
    • python 3.6+

      +
      +
        +
      • numpy

      • +
      • scipy

      • +
      • toml

      • +
      • typing_extensions (if python 3.6 or 3.7 is used)

      • +
      +
      +
    • +
    +
    +
    +

    2.2. Download

    + +
    +
    +

    2.3. Directory structure

    +
    |-- CMakeLists.txt
    +|-- LICENSE
    +|-- README.md
    +|-- config/
    +|-- doc/
    +|-- sample/
    +|   |-- dla/
    +|   `-- pmwa/
    +|-- src/
    +|   |-- common/
    +|   |-- dla/
    +|   |-- pmwa/
    +|   `-- third-party/
    +|-- test/
    +|   |-- dla/
    +|   |-- pmwa/
    +|   `-- tool/
    +`-- tool/
    +    |-- cmake/
    +    |-- dsqss/
    +    `-- setup.py
    +
    +
    +
    +
    +

    2.4. Install

    +

    The installation of DSQSS can be done by the following procedures. +In the following, we assume that you are in the root directory of dsqss.

    +
    $ mkdir dsqss.build && cd dsqss.build
    +$ cmake ../ -DCMAKE_INSTALL_PREFIX=/path/to/install/to
    +$ make
    +
    +
    +

    Replace /path/to/install/to with the directory path where you want to install dsqss. +It is noted that the default install directory is set as /usr/local/bin .

    +
    +

    Note

    +

    By default, CMake usually sets /usr/bin/c++ as a C++ compiler for building DSQSS. +If you want to use another C++ compiler like icpc (Intel compiler,) +you should tell it to CMake by using -DCMAKE_CXX_COMPILER option:

    +
    $ cmake ../ -DCMAKE_CXX_COMPILER=icpc
    +
    +
    +

    For Intel compiler, DSQSS offers another option to set compiler options besides compiler itself as following:

    +
    $ cmake ../ -DCONFIG=intel
    +
    +
    +

    For details, see https://github.com/issp-center-dev/HPhi/wiki/FAQ .

    +
    +
    +

    Note

    +

    CMake automatically search for an interpreter of Python. +If you want to use a specific one, +you should tell it to CMake by using -DPYTHON_EXECUTABLE option:

    +
    $ cmake ../ -DPYTHON_EXECUTABLE=`which python3`
    +
    +
    +
    +

    Each binary files for dsqss will be made in src and tool directories. +To check whether the binary files are correctly made or not, +please type the following command:

    +
    $ make test
    +
    +
    +

    After seeing that all tests are passed, +type the following command to install files:

    +
    $ make install
    +
    +
    +

    This command installs executable files into the bin directory, +the sample files into the share/dsqss/VERSION/samples directory, +and the python package dsqss into the lib directory +under the install path before you set. +One configuration file for setting environment variables to perform DSQSS commands will also be installed as share/dsqss/dsqssvar-VERSION.sh . +Before invoke DSQSS commands, please load this file by source command as

    +
    $ source share/dsqss/dsqssvar-VERSION.sh
    +
    +
    +

    In the remaining, it is assumed that DSQSS is installed and this configuration file is loaded.

    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/dsqss/usage.html b/manual/v2.0.5/en/dsqss/usage.html new file mode 100644 index 00000000..2b433b2d --- /dev/null +++ b/manual/v2.0.5/en/dsqss/usage.html @@ -0,0 +1,423 @@ + + + + + + + + Usage — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    Usage

    +

    DSQSS provides an input file creation tool dsqss_pre.py . +This section briefly explains how to run DSQSS using this tool. +In DSQSS/DLA, it is also possible for users to define complex models and execute them. +For details, see User’s manual of DSQSS/DLA .

    +
    +

    Make an input file

    +

    To run dsqss_pre.py, a text-based input file is needed. +An example of the input file is shown below.

    +
    [System]
    +solver = DLA
    +[Hamiltonian]
    +model_type = spin
    +M = 1
    +J = 1.0
    +F = 0.0
    +[Lattice]
    +lattice_type = square
    +D = 1
    +L = 8
    +Beta = 10
    +[Parameter]
    +NPRE = 1000
    +NTHERM = 1000
    +NMCS = 1000
    +NSET = 10
    +SEED = 31415
    +NVERMAX = 10000000
    +algfile = algorithm.xml
    +latfile = lattice.xml
    +outfile = sample.log
    +
    +
    +

    In the input file, specify the parameters that are divided into four categories. +Each parameter is specified in the form keyword = parameter.

    +
      +
    1. System section

      +
      +

      Set solvers with solver as the keyword. +Solvers can be selected from DLA or PMWA.

      +
      +
    2. +
    3. Hamiltonian section

      +
      +

      Specify the system type (spin or boson) and the parameters to construct the Hamiltonian.

      +
      +
    4. +
    +
    +
    +++++++ + + + + + + + + + + + + + + + + +

    Parameter

    Solver

    Type

    Default

    Remarks

    model_type

    Common

    str

    spin

    spin or boson.

    +
      +
    • model_type = spin

    • +
    + +++++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    Parameter

    Solver

    Type

    Default

    Remarks

    M

    DLA

    int

    1

    The number of sub-spins on each site.

    F

    DLA

    double

    0.0

    The magnetic field in the pair Hamiltonian. ( = \(H/z\) if the field \(H\) is shared equally by all pairs, where \(z = 4\) for a two-dimensional square lattice. ).

    J

    DLA

    double

    1.0

    The coupling constant \(J\) (positive for ferromagnets, negative for anti-magnets).

    Jxy

    PMWA

    double

    0.0

    The coupling constant \(J_{xy}\) (positive for ferromagnets, negative for anti-magnets).

    Jz

    PMWA

    double

    0.0

    The coupling constant \(J_{z}\) (positive for ferromagnets, negative for anti-magnets).

    h

    PMWA

    double

    0.0

    The longitudinal magnetic field (not depend on \(z\)).

    Gamma

    PMWA

    double

    0.0

    The transverse magnetic field (not depend on \(z\)).

    +
      +
    • model_type = boson

    • +
    + +++++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    Parameter

    Solver

    Type

    Default

    Remarks

    t

    Common

    double

    1.0

    The hopping constant.

    U

    Common

    double

    0.0

    The on-site interaction (positive for repulsive).

    V

    Common

    double

    0.0

    The nearest neighbor interaction (positive for repulsive).

    M

    DLA

    int

    1

    The maximum number of bosons on each site.

    F

    DLA

    double

    0.0

    The chemical potential in the pair Hamiltonian ( = \(H/z\) if the field \(H\) is the field per site and \(H\) is shared equally by all pairs, e.g., \(F = H/4\) for a square lattice. )

    mu

    PMWA

    double

    0.0

    The chemical potential.

    Gamma

    PMWA

    double

    0.0

    The source term ( the coefficient of \(b_i^{\dagger}+b_i\) ).

    +
    +

    For details of the parameters constituting the Hamiltonian, +see the section for input files of hamgen_B or hamgen_H for DSQSS/DLA. +For DSQSS/PMWA , see the section for input file.

    +
      +
    1. Lattice section

    2. +
    +
    +

    This section specifies the lattice type and inverse temperature.

    + ++++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    Parameter

    Type

    Default

    Remarks

    lattice_type

    str

    square

    Select square or triangular for DLA. For PMWA, only square can be selected.

    D

    int

    The number of dimension.

    L

    int

    The liner size of the lattice. Specify the size of the D dimensional space, separated by , for example, in the case of a lattice of 2D \(2 \times 4\), specify it as L = 2, 4.

    Beta

    double

    10.0

    Inverse temperature

    NLdiv

    int

    1

    ( for DSQSS/PMWA ): The devision number for the lattice.

    NBdiv

    int

    1

    ( for DSQSS/PMWA ): The devision number for Beta .

    +
    +
      +
    1. Parameter section

    2. +
    +
    +

    In this section, the calculation condition is specified. +Set the parameters using keywords common to the input files of DSQSS / DLA and DSQSS / PMWA. +Please refer to the input file of each solver for details of defined parameters.

    +
    +
    +
    +

    Execution

    +

    After making the input file, input files for the solver are generated by typing the following command (input file name is set as “std.in” in the following).

    +
    $ dsqss_pre.py -i std.in
    +
    +
    +

    For DSQSS/DLA , algorithm.xml, hamiltonian.xml, lattice.xml, param.in are generated. +For DSQSS/PMWA, lattice.xml, param.in are generated. +To execute the solver, see the end line of standard output of dsqss_pre.py

    +

    :

    +
    +

    Please type: xxxxxx

    +
    +

    where xxxxxx is the command for the execution (for example, DLA_H param.in). +To use MPI, add mpirun -np 8 in the front of xxxxxx (8 is the number of the processes to be used for parallelization).

    +

    DSQSS/DLA specifies the number of parallel random numbers, +DSQSS/PMWA specifies the product of the number of parallel random numbers +and the total number of divisions (product of space division number and imaginary time division number) as the number of processes. +Details of the output files after calculations are described in the tutorial / output result of each solver, so please refer to that.

    +
    +
    +

    Flow of Monte Carlo calculation

    +

    In fig_nmcs , the flow of Monte Carlo calculation is shown.

    +
    +Schematic figure for the flow and parameters of Monte Carlo calculation +
    +

    Schematic figure for the flow of Monte Carlo calculation and the parameters for Monte Carlo steps

    +
    +
    +

    DSQSS defines 1 MC step from generation of worm head pair to disappearance and +defines 1 MC sweep as \(N_\text{cyc}\) MC step (even if generation of worm head pair fails, it is counted as 1 MC step.) +The value of \(N_\text{cyc}\) is determined by the initial NPRE MC step.

    +

    After determining \(N_\text{cyc}\) , +Simulation of the NTHERM MC sweep is performed as an initial relaxation phase, +and the simulation of NMCS MC sweep continues as a physical quantity measurement phase.

    +

    A NDECOR MC sweep simulation is performed as an autocorrelation reduction phase +between one physical quantity measurement phase and the next physical quantity measurement process phase.

    +

    One set consists of two phases, the initial relaxation phase and the physical quantity measurement phase, +or the autocorrelation reduction phase and the physical quantity measurement phase, +and the whole simulation includes NSET sets.

    +

    Expected value of physical quantity \(\langle Q \rangle\) and error \(\sigma_Q\) +can be obtained as the mean and standard error of the physical quantity obtained from each of the NSET sets.

    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/genindex.html b/manual/v2.0.5/en/genindex.html new file mode 100644 index 00000000..1ef12d5f --- /dev/null +++ b/manual/v2.0.5/en/genindex.html @@ -0,0 +1,111 @@ + + + + + + + Index — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + + +

    Index

    + +
    + +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/index.html b/manual/v2.0.5/en/index.html new file mode 100644 index 00000000..e78b13f2 --- /dev/null +++ b/manual/v2.0.5/en/index.html @@ -0,0 +1,224 @@ + + + + + + + + DSQSS – Discrete Space Quantum Systems Solver — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    DSQSS – Discrete Space Quantum Systems Solver

    +
    + +
    + +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/objects.inv b/manual/v2.0.5/en/objects.inv new file mode 100644 index 0000000000000000000000000000000000000000..ca0f913b707eb69082d76db2b1052c4a2dd2d592 GIT binary patch literal 1442 zcmV;T1zq|hAX9K?X>NERX>N99Zgg*Qc_4OWa&u{KZXhxWBOp+6Z)#;@bUGkJQ&Ce> z3L_v^WpZ_Ab7^j8AbMm_ndpl`yyt0A*n8_?73pujxvIjE`DZs zOBhPuqJrUdqli>#g?WS7n)15Q8F{XW)T>fg>=h0WDL|wa;wmhm&v&=TF11oCkV^6r z*BM}E2HPQ@2&9qn-|+eU+rJ9=|6+%(Hy<~f_4VylV!(8xfggajLJ{?~ z!P0qJh&=F3h*(1OS5s|?LZ8HdB|#;YMJ@p551|BCNN|LaM`l=Snv*`WbzzpY za}YiFwFNII*HSEC!LGx4EU~r+(*ph8M^ZKAaH5pYqO}qZ@ec1f0q@YJQ8}qK-BRX{ z1#?YzL`qQw8KaA=vKrGCw1Q(@qO}r^_B|(Ze?&QEc>~8w;kf-pj9G68RfNNx?UCcy z9tQ{6i!H+Ul#jw;Ld02eO(n@SDG(E)?gASr!44)&7#>sX37C(;vqhFx$`So(a?Pbr zyQ9z!Ko*>tjIxHenP0?*vUhYApvS zrbhAB)xkjwBaaOWmZp~E#R`Uzr7W0A7Eb zO5L*4`GpIlsb=K2Rs{luu_-0H;nZ%#6WELVnpbTU-jlJST@Kj_pNS8E8cSSV*0FsA zSOnLw@69LCP`%9GWJmYepilPj=Q`ypP)sAmcO|JPRBTiWO`uA{S3zn5=f`uKp?uU? zC8-;x=ppK_Tiah()~X#7Pj+yK>cc75qY7aSG#GY%@ECJdV};%`Mr-f}8E0IQK;9!$ z{xRP(zhNS8WL{iZP8t~3mVt=@r>!{uhnc*}hqYr6Yt{-Yw#nfVvFWO?)EELtVAFPy zG16FaC%A^Y#*&F%dp0&0!8!z&D>1RS(xg__r2ZH(9c}$V#G2TtJ&>w4HNu#9Sg93K z{qZDkJ9@8`iqfgTwO_;@3My4gb__Y%lpNE8> zhkWLp1IaoOD)li98-An~MFW~HXzJ>zH_96eT2uY)&dDqdTlaU5S0nJjD`H}M)EuXP zjL)V=&tnCN@P_ze=JsfOvWDXJ;nY_)HIL0>+wDc*S;NOe+0?$n{?zbOKqoFL66y_k zXIz!Srb%T{HJW7^i8`)#m-f7)iX~GKKq@zkREiwJRSadObEP=a^xo7eO z=xC~%*p8>GC^t_e?fp@gaB{uemBbwIfn>Q55`?k-fl?E|(hjUEJD>a}>NdL)R8Unj zsPGjGUA7J>f@NOzEpTi8J>&N8%?Y@vC^JcwMUUGT4qEQp92rSFl=iE~a(?ljA+P}P z7#9#-(T};l)B?(y`XRc2;eQjra$PKH)-NZ}g==FmNc7#Y_!@aRLjVZHwnc6ywac+P wi1sUa!UuAIVN}RV`+SGs?)tI)-^~*d%f%@d@wAy1akUB7$=US!5C1pIJQ!rKmH+?% literal 0 HcmV?d00001 diff --git a/manual/v2.0.5/en/pmwa/tutorial/input_file.html b/manual/v2.0.5/en/pmwa/tutorial/input_file.html new file mode 100644 index 00000000..83f72bb6 --- /dev/null +++ b/manual/v2.0.5/en/pmwa/tutorial/input_file.html @@ -0,0 +1,284 @@ + + + + + + + + 6.1. Input files for DSQSS/PMWA — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    6.1. Input files for DSQSS/PMWA

    +

    In the input file of DSQSS/DLA and DSQSS/PMWA, there are many common parameters. In this section, the parameters which are not included in DSQSS/DLA or where the usage is different from DSQSS/DLA are explained.

    +
      +
    • Parameters for calculation conditions

    • +
    + ++++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    Parameter

    type

    default

    description

    RUNTYPE

    int

    Calculation mode (0: from scratch, 1: restart)

    CB

    int

    0

    Initial pattern (0: Vacuum, 1: Checker-Board, 2: Random)

    NWORMAX

    int

    1000

    The maximum number of worms. When the value is equal to be -1, the upper limit becomes infinity.

    Step_x

    int

    1

    The spatial width in calculating the correlation functions.

    Step_k

    int

    1

    The width of the wave-number space in calculating correlation functions of wave-number representation.

    +
      +
    • Parameters related to the model

    • +
    + +++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    Parameter

    type

    description

    t

    double

    +

    \(t\) in boson system. \(J_{xy}\) in spin system.

    +
    +

    U

    double

    +

    \(U\) in boson system. This parameter is not used in spin system.

    +
    +

    V

    double

    +

    \(V\) in boson system. \(J_{z}\) in spin system.

    +
    +

    MU

    double

    +

    \(\mu\) in boson system. \(H\) in spin system.

    +
    +

    G

    double

    +

    \(\Gamma\) in boson system. \(\Gamma/2\) in spin system.

    +
    +

    NMAX

    -

    This value is not used (always fixed to be 1).

    +
      +
    • Parameters for the lattice

    • +
    + ++++++ + + + + + + + + + + + + + + + + + + + + + + + + +

    Parameter

    type

    default

    description

    NLdiv

    int

    1

    The number of divisions of L (divide NLdiv for each dimension)

    NBdiv

    int

    1

    The number of divisions of L

    NFIELD

    int

    0

    The type of magnetic field (basically set to 0)

    +

    An example of the input file is shown as follows:

    +
    RUNTYPE = 0
    +NSET  = 10
    +NMCS  = 1000
    +NPRE = 1000
    +NTHERM = 1000
    +NDECOR = 1000
    +SEED  = 31415
    +NC    = 0
    +NVERMAX = 10000000
    +NWORMAX = 1000
    +algfile   = algorithm.xml
    +latfile   = lattice.xml
    +outfile   = sample.log
    +CB      = 2
    +G       = 0.3
    +U       = 0
    +V       = 3
    +t       = 1
    +MU      = 2
    +NMAX    = 1
    +
    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/pmwa/tutorial/intro.html b/manual/v2.0.5/en/pmwa/tutorial/intro.html new file mode 100644 index 00000000..c2463b6d --- /dev/null +++ b/manual/v2.0.5/en/pmwa/tutorial/intro.html @@ -0,0 +1,125 @@ + + + + + + + + 5.1. About DSQSS/PMWA — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    5.1. About DSQSS/PMWA

    +

    DSQSS / PMWA is a numerical package of the world-line quantum Monte Carlo method with non-local updates algorithm for large-scale parallel computing. PMWA can treat \(S=1/2\) quantum many-body system such as XXZ spin model, Heisenberg model, transverse Ising model and hard-core boson system with large lattice sizes at finite temperatures. Basically, any physical quantities can be calculated within the statistical error. By default, the energy under a longitudinal worm source field, longitudinal magnetization, transverse magnetization, winding number, and imaginary time \(S^z S^z\) spin correlation function are calculated.

    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/pmwa/tutorial/lattgene.html b/manual/v2.0.5/en/pmwa/tutorial/lattgene.html new file mode 100644 index 00000000..f03b4ad2 --- /dev/null +++ b/manual/v2.0.5/en/pmwa/tutorial/lattgene.html @@ -0,0 +1,183 @@ + + + + + + + + 5.2.1. Make an input file for a lattice — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    5.2.1. Make an input file for a lattice

    +

    In PMWA, as a simple tool lattgene_P is prepared for generating a lattice definition file lattice.xml for a standard model. In this section, the usage of +lattgene_P is explained.

    +

    lattgene_P generates a lattice definition file for a cubic lattice. +The parameters to be specified are as follows.

    + +++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    Parameter

    type

    Remarks

    D

    int

    The dimensions

    L

    int

    The size of the lattice (specified for each dimension consecutively)

    B

    double

    The inverse temperature

    NLdiv

    int

    The number of divisions of L (divide NLdiv for each dimension)

    NBdiv

    int

    The number of divisions of L

    NFIELD

    int

    The type of magnetic field (basically set to 0)

    +

    Examples of use are described below.

    +
      +
    1. One-dimensional 8-sites chain, inverse temperature 10.0, the definition of lattice file when division number is 1:

      +

      $ lattgene_P 1 8 10.0 1 1 0

      +
    2. +
    3. Two-dimensional 4*4 sites lattice, reverse temperature 10.0, the definition of lattice file when division number is 1:

      +

      $ lattgene_P 2 4 4 10.0 1 1 0

      +
    4. +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/pmwa/tutorial/model.html b/manual/v2.0.5/en/pmwa/tutorial/model.html new file mode 100644 index 00000000..1634c347 --- /dev/null +++ b/manual/v2.0.5/en/pmwa/tutorial/model.html @@ -0,0 +1,289 @@ + + + + + + + + 5.2.2. Make an input file for DSQSS/PMWA — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    5.2.2. Make an input file for DSQSS/PMWA

    +

    To execute PMWA, a text format input file is required. +There are two kinds of parameters in the input file: parameters specifying calculation conditions and parameters specifying a Hamiltonian.

    +

    An example of the input file is shown below:

    +
    RUNTYPE = 0
    +NSET   = 10
    +NMCS   = 10000
    +NPRE   = 10000
    +NTHERM = 10000
    +NDECOR = 10000
    +SEED  = 31415
    +NC    = 0
    +NVERMAX = 10000000
    +NWORMAX = 1000
    +latfile   = lattice.xml
    +outfile   = sample.log
    +CB      = 2
    +G       = 0.3
    +U       = 0
    +V       = 3
    +t       = 1
    +MU      = 2
    +NMAX    = 1
    +
    +
    +

    The meaning of each parameter is as follows.

    +
      +
    • Parameter of calculation conditions

      + +++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

      Parameter

      type

      Remarks

      RUNTYPE

      int

      Calculation mode (0: normal calculation, 1: restart calculation)

      CB

      int

      Initial arrangement (0: Vacuum, 1: Checker-Board, 2: Random)

      NSET

      int

      The repetition number of Monte Carlo calculation

      NMCS

      int

      The number of Monte Carlo sweeps used for physical quantity calculation

      NPRE

      int

      The number of Monte Carlo steps used for precalculation to determine the number of trials to generate worms per sweep

      NMCSE

      int

      The number of Monte Carlo sweeps used for initial relaxation

      NMCSD

      int

      The number of Monte Carlo sweeps between measurements

      SEED

      int

      If it is 0 or more, seed is actually used, if negative, seed is given with random number.

      NVERMAX

      int

      The maximum number of vertexes (default is \(10^8\) ). There is no upper limit when -1.

      NWORMAX

      int

      The maximum number of worms (default is \(10^3\) ). There is no upper limit when -1.

      SFINPFILE

      str

      If this file name is given, calculate structure factors specified in this file.

      SFOUTFILE

      str

      If SFINPFILE is given, output structure factors to the specified file (default is sf.out).

      Step_x

      int

      Give the spatial width when computing the correlation function (default: 1).

      Step_k

      int

      Give the width of wavenumber when computing correlation function of wavenumber representation (default: 1).

      CFOUTFILE

      str

      When it is input, it outputs the correlation function to the specified file (default is cf.out).

      +
    • +
    +

    Here, NVERMAX and NWORMAX are automatically resized and determined (implemented in ver. 1.2.0).

    +
      +
    • Parameter of interactions

    • +
    +

    PMWA can treat the models for hard-core boson and \(S=1/2\) XXZ system. +The Hamiltonian for hard-core boson system is given by

    +
    +\[\begin{split}{\cal H} &= -t_{b} \sum_{\langle i, j\rangle}b_i^{\dagger} b_j + U_{BB}\sum_i n_i(n_i -1) ++V_{B1}\sum_{\langle i, j\rangle} n_i n_j \\ +&+\mu\sum_i n_i-\Gamma\sum_i(b_i^{\dagger}+b_i),\end{split}\]
    +

    where \(\langle i,j \rangle\) indicates a nearest-neighbor pair. +For \(S=1/2\) XXZ model, the hamiltonian is given by

    +
    +\[{\cal H}^{XXZ} = -J_{xy} \sum_{\langle i, j\rangle}(S_i^x S_j^x + S_i^y S_j^y)-J_z\sum_{\langle i, j\rangle}S_i^zS_j^z-H \sum_{i}S_{i}^z -\Gamma \sum_i S_i^x.\]
    +

    The parameters specified in the input file and the parameters in the above expression correspond as follows.

    +
    +
    +++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    Parameter

    Boson

    Spin

    t

    \(t_b\)

    \(J_{xy}\)

    U

    \(U_{BB}\)

    -

    V

    \(V_{B1}\)

    \(J_{z}\)

    MU

    \(\mu\)

    \(H\)

    G

    \(\Gamma\)

    \(\Gamma/2\)

    +
    +

    Each parameter is specified as double type.

    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/pmwa/tutorial/output.html b/manual/v2.0.5/en/pmwa/tutorial/output.html new file mode 100644 index 00000000..ea75bd79 --- /dev/null +++ b/manual/v2.0.5/en/pmwa/tutorial/output.html @@ -0,0 +1,320 @@ + + + + + + + + 5.2.3. Run DSQSS/PMWA — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    5.2.3. Run DSQSS/PMWA

    +

    After generating the input file, PMWA runs by typing the following command (the name of the input file is assumed as param.in). +Execution file is different depending on the system, i.e. the spin system or the hard core boson system.

    +
      +
    1. Spin system

    2. +
    +
    +

    $pmwa_H param.in

    +
    +
      +
    1. Hard core boson system

    2. +
    +
    +

    $pmwa_B param.in

    +
    +

    After calculation, one result file and two temporary files for restart mode (evout_sample.log, RND_evout_sample.log) are outputted.

    +
    +
    +

    5.2.4. Output files

    +

    Here, the parameters specific to PMWA for one result file and two temporary files for restart mode are described.

    +
      +
    • Result file

      + +++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

      Type

      Name

      Description

      P

      L

      The size of the lattice.

      P

      DOML

      The size of the domain divided by parallelization

      P

      DOMBETA

      The size of the inverse temperature divided by parallelization

      P

      NDIVL

      The number of lattice divisions

      P

      NTEST

      Number of samples to be tested (for details, see the description of Monte Carlo calculation)

      R

      nver

      The number of kinks and worms

      R

      nkin

      The number of kinks

      R

      wndx

      The expected value of square of winding number in \(x\) direction

      R

      wndy

      The expected value of square of winding number in \(y\) direction

      R

      wndz

      The expected value of square of winding number in \(z\) direction

      R

      wnd2

      The total number of squares of winding number(wndx+wndy+wndz)

      R

      bmxu

      The expected value of \(S_x\) (uniform \(\tau\) integral)

      R

      bmpu

      The expected value of \(S_+\) (uniform \(\tau\) integral)

      R

      bmmu

      The expected value of \(S_-\) (uniform \(\tau\) integral)

      R

      comp

      The compressibility

      R

      lxmx

      The local worm number fluctuation at each site

      I

      the maximum number of vertices

      The maximum number of vertices

      I

      the maximum number of worms

      The maximum number of worms

      +
    • +
    +

    Here, the type is the letter given to the beginning of each line of output. P, R, I indicate Parameter, Result, Information respectively.

    +
      +
    • Output files for restart mode

    • +
    +

    PMWA implements the restart function, and if there are two files below, a restart is automatically performed. Below, a brief description of the output contents of each file is described.

    +
    +
      +
    1. evout_sample.log

      +
      +

      Files outputted for the number of cycles at the end of computation, world lines information, and vertex information. +For restart calculation, calculations are performed with the loaded arrangement as the initial condition.

      +
      +
    2. +
    +
    26 : Number of cycles at the end of calculation
    +0 1 : Information on the world line at site :math:`0` in the domain.
    +i/N beta, (i+1)/N beta Information on the world line of the section : 0: down, 1: up
    +0 0 :Information on the world line 1 at the site 1 in the domain.
    +1 1  :Information on the world line 2 at the site 2 in the domain.
    +...
    +8 0.056997107 2 1 4  Vertex label, tau, type of vertex, number of world lines, bond number
    +9 0.056997107 2 0 5
    +44 0.28066013 2 1 3
    +
    +
    +

    Here, the types of vertexes are defined as follows.

    + ++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    The type of vertex

    Description

    -5

    The start and end points in the imaginary time direction in each domain. It does not need to split domain.

    -4(right), -2(left)

    Vertex diagonally across domains. It does not need to split domain.

    -3(right), -1(left)

    Vertex off-diagonally across domains. It does not need to split domain.

    0

    On site vertex (except worms).

    1

    Two site vertex

    2

    Kink.

    3

    Two site vertex (next nearest) (it is left for compatibility).

    4

    The worm moving at that time (annihilation operator).

    5

    The worm stopping at that time (creation operator).

    6

    The worm stopping at that time (not related to neither annihilation or creation operators) or needless vertex.

    7

    Marker(for imaginary time correlation function measurement).

    +
      +
    1. RNDevout_sample.log

      +

      The output binary file for objects generating random numbers. At recalculation, calculations are performed with the random number information which is read as the initial condition.

      +
    2. +
    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/pmwa/tutorial/output_file.html b/manual/v2.0.5/en/pmwa/tutorial/output_file.html new file mode 100644 index 00000000..20af2bd5 --- /dev/null +++ b/manual/v2.0.5/en/pmwa/tutorial/output_file.html @@ -0,0 +1,311 @@ + + + + + + + + 6.2. Output files for DSQSS/PMWA — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    6.2. Output files for DSQSS/PMWA

    +

    DSQSS/PMWA outputs one result file and two temporary files for restart calculation (evout_sample.log, RND_evout_sample.log).

    +
      +
    • Result file

      +
      +
      Many parameters are common to DSQSS/DLA. In this section, the parameters which are not included in DSQSS/DLA or where the usage is different from DSQSS/DLA are explained.
      +++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

      Type

      Name

      Description

      P

      L

      The size of the lattice.

      P

      DOML

      The size of the domain divided by parallelization

      P

      DOMBETA

      The size of the inverse temperature divided by parallelization

      P

      NDIVL

      The number of lattice divisions

      P

      NTEST

      Number of samples to be tested (for details, see the description of Monte Carlo calculation)

      R

      nver

      The number of kinks and worms

      R

      nkin

      The number of kinks

      R

      wndx

      The expected value of square of winding number in \(x\) direction

      R

      wndy

      The expected value of square of winding number in \(y\) direction

      R

      wndz

      The expected value of square of winding number in \(z\) direction

      R

      wnd2

      The total number of squares of winding number(wndx+wndy+wndz)

      R

      bmxu

      The expected value of \(S_x\) (uniform \(\tau\) integral)

      R

      bmpu

      The expected value of \(S_+\) (uniform \(\tau\) integral)

      R

      bmmu

      The expected value of \(S_-\) (uniform \(\tau\) integral)

      R

      comp

      The compressibility

      R

      lxmx

      The local worm number fluctuation at each site

      I

      the maximum number of vertices

      The maximum number of vertices

      I

      the maximum number of worms

      The maximum number of worms

      +
      +
      +

      Here, the type means the letter given to the beginning of each line of output. P, R, I indicate Parameter, Result, Information, respectively.

      +
    • +
    • File for restart calculation

      +

      PMWA implements the restart function, and if there are two files evout_sample.log and RNDevout_sample.log, a restart is forcibly performed. +In the following, the output contents of each file are briefly described.

      +
        +
      1. evout_sample.log

      2. +
      +

      In this file, the number of cycles at the end of computation, information on world lines, and vertex information are outputted. +In restart calculation, the loaded arrangement is set as the starting condition.

      +
      26 : Number of cycles at the end of calculation.
      +0 1 : Information on the world line at 0-th site in the domain.
      +Information on the world line of the section between i/N beta, (i+1)/N beta; 0: down, 1: up
      +0 0 : Information on the world line at the 1st site in the domain.
      +1 1 : Information on the world line at the 2nd site in the domain.
      +...
      +8 0.056997107 2 1 4 :lavel for vertex, tau, kind of vertex, Number of world lines, Bond number
      +9 0.056997107 2 0 5
      +44 0.28066013 2 1 3
      +
      +
      +
    • +
    +

    PMWA implements the restart function, and if there are two files below, a restart is automatically performed. Below, a brief description of the output contents of each file is described.

    +
    +
      +
    1. evout_sample.log

      +
      +

      Files outputted for the number of cycles at the end of computation, world lines information, and vertex information. +For restart calculation, calculations are performed with the loaded arrangement as the initial condition.

      +
      +
    2. +
    +
    26 : Number of cycles at the end of calculation
    +0 1 : Information on the world line at site :math:`0` in the domain.
    +i/N beta, (i+1)/N beta Information on the world line of the section : 0: down, 1: up
    +0 0 :Information on the world line 1 at the site 1 in the domain.
    +1 1  :Information on the world line 2 at the site 2 in the domain.
    +...
    +8 0.056997107 2 1 4  Vertex label, tau, type of vertex, number of world lines, bond number
    +9 0.056997107 2 0 5
    +44 0.28066013 2 1 3
    +
    +
    +

    Here, the types of vertexes are defined as follows.

    + ++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    The type of vertex

    Description

    -5

    The start and end points in the imaginary time direction in each domain. It does not need to split domain.

    -4(right), -2(left)

    Vertex diagonally across domains. It does not need to split domain.

    -3(right), -1(left)

    Vertex off-diagonally across domains. It does not need to split domain.

    0

    On site vertex (except worms).

    1

    Two site vertex

    2

    Kink.

    3

    Two site vertex (next nearest) (it is left for compatibility).

    4

    The worm moving at that time (annihilation operator).

    5

    The worm stopping at that time (creation operator).

    6

    The worm stopping at that time (not related to neither annihilation or creation operators) or needless vertex.

    7

    Marker(for imaginary time correlation function measurement).

    +
      +
    1. RNDevout_sample.log

      +

      The output binary file for objects generating random numbers. At recalculation, calculations are performed with the random number information which is read as the initial condition.

      +
    2. +
    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/pmwa/tutorial/sample_Heisenberg.html b/manual/v2.0.5/en/pmwa/tutorial/sample_Heisenberg.html new file mode 100644 index 00000000..2cdf458b --- /dev/null +++ b/manual/v2.0.5/en/pmwa/tutorial/sample_Heisenberg.html @@ -0,0 +1,197 @@ + + + + + + + + 5.3. Calculation of the energy on spin chain by DSQSS/PMWA — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    5.3. Calculation of the energy on spin chain by DSQSS/PMWA

    +

    In this tutorial, you learn how to use DSQSS / PMWA by calculating the ground state energy of antiferromagnetic Heisenberg chain of \(S = 1/2\).

    +

    The calculation by DSQSS / PMWA is done in the following three stages:

    +
      +
    1. Make an input file,

    2. +
    3. Perform calculation,

    4. +
    5. Analyze calculation results.

    6. +
    +
    +

    5.3.1. Make an input file

    +

    To run DSQSS/PMWA, following two input files are needed:

    +
      +
    1. lattice definition file,

    2. +
    3. parameter file.

    4. +
    +

    The utility tool pmwa_pre for doing automatically these process is prepared. +This tool is made by a Python script that generates input files for DSQSS/DLA and DSQSS/PMWA from a single input file. +First of all, prepare a text file std.in with the following contents as an input file for pmwa_pre.

    +
    [System]
    +solver = PMWA
    +[Hamiltonian]
    +model_type = spin
    +Jxy = -1.0
    +Jz = -1.0
    +Gamma = 0.1
    +[Lattice]
    +lattice_type = square
    +D = 1
    +L = 16
    +Beta = 100
    +[Parameter]
    +CB = 1
    +SEED = 31415
    +NSET = 10
    +NMCS = 100
    +NPRE = 100
    +NTHERM = 100
    +NDECOR = 100
    +
    +
    +

    This file is located in sample/pmwa/1DDimer directory. +Next, type the following command:

    +
    $ pmwa_pre std.in
    +
    +
    +

    Then, input files param.in and lattice.xml are generated.

    +
    +
    +

    5.3.2. Perform calculation

    +

    After making input files, the calculation by DSQSS/PMWA starts by typing the following command:

    +
    $ pmwa_H param.in
    +
    +
    +

    Random numbers parallel computation is possible by using MPI (it is also possible to perform parallel computation by dividing space/imaginary time. Please see DLA user manual for details ).

    +
    $ mpiexec -np 4 pmwa_H param.in
    +
    +
    +

    Calculation can be done independently for parallel number (4 for the above example), and the accuracy can be improved by increasing the number of Monte Carlo samples.

    +
    +
    +

    5.3.3. Analyze calculation results

    +

    The calculation result is written to the output file sample.log. +The energy is obtained by typing the following command:

    +
    $ grep ene sample.log
    +R ene  = -0.5705441 0.0003774399737579577
    +
    +
    +

    In the case of DSQSS / PMWA, it is necessary to insert a transverse magnetic field. Therefore, please note that extrapolation is necessary to obtain the result at zero magnetic field.

    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/pmwa/tutorial/tu-index.html b/manual/v2.0.5/en/pmwa/tutorial/tu-index.html new file mode 100644 index 00000000..9104df0d --- /dev/null +++ b/manual/v2.0.5/en/pmwa/tutorial/tu-index.html @@ -0,0 +1,126 @@ + + + + + + + + 6. User’s manual for DSQSS/PMWA — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    6. User’s manual for DSQSS/PMWA

    + +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/pmwa/tutorial/tutorial.html b/manual/v2.0.5/en/pmwa/tutorial/tutorial.html new file mode 100644 index 00000000..5d0c0edd --- /dev/null +++ b/manual/v2.0.5/en/pmwa/tutorial/tutorial.html @@ -0,0 +1,139 @@ + + + + + + + + 5. Tutorial of DSQSS/PMWA — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + + + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/pmwa/tutorial/usage.html b/manual/v2.0.5/en/pmwa/tutorial/usage.html new file mode 100644 index 00000000..05d1423a --- /dev/null +++ b/manual/v2.0.5/en/pmwa/tutorial/usage.html @@ -0,0 +1,146 @@ + + + + + + + + 5.2. Usage — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    5.2. Usage

    +

    PMWA can be used by the following procedures:

    +
      +
    1. Make an input file for a lattice (use lattgene_P ).

    2. +
    3. Make an input file.

    4. +
    5. Execute PMWA (boson system:pmwa_B , spin system:pmwa_H )

    6. +
    7. Generate output files.

    8. +
    +

    There is also a simple tool pmwa_pre for executing 1 and 2 at once. +In this section, the usage and parameters are explained for each procedure.

    + +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/search.html b/manual/v2.0.5/en/search.html new file mode 100644 index 00000000..e54989fa --- /dev/null +++ b/manual/v2.0.5/en/search.html @@ -0,0 +1,130 @@ + + + + + + + Search — DSQSS 2.0.5 documentation + + + + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +

    Search

    + + + + +

    + Searching for multiple words only shows matches that contain + all words. +

    + + +
    + + + +
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    + + +
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    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/en/searchindex.js b/manual/v2.0.5/en/searchindex.js new file mode 100644 index 00000000..d1394a5f --- /dev/null +++ b/manual/v2.0.5/en/searchindex.js @@ -0,0 +1 @@ +Search.setIndex({"docnames": ["dla/tutorial/bosesquare", "dla/tutorial/index", "dla/tutorial/intro", "dla/tutorial/spinchain", "dla/tutorial/spindimer", "dla/users-manual/engine", "dla/users-manual/generator", "dla/users-manual/index", "dla/users-manual/input_expert", "dla/users-manual/input_simple", "dla/users-manual/input_standard", "dla/users-manual/output", "dsqss/about_dsqss", "dsqss/index", "dsqss/install", "dsqss/usage", "index", "pmwa/tutorial/input_file", "pmwa/tutorial/intro", "pmwa/tutorial/lattgene", "pmwa/tutorial/model", "pmwa/tutorial/output", "pmwa/tutorial/output_file", "pmwa/tutorial/sample_Heisenberg", "pmwa/tutorial/tu-index", "pmwa/tutorial/tutorial", "pmwa/tutorial/usage"], "filenames": ["dla/tutorial/bosesquare.rst", "dla/tutorial/index.rst", "dla/tutorial/intro.rst", "dla/tutorial/spinchain.rst", "dla/tutorial/spindimer.rst", "dla/users-manual/engine.rst", "dla/users-manual/generator.rst", "dla/users-manual/index.rst", "dla/users-manual/input_expert.rst", "dla/users-manual/input_simple.rst", "dla/users-manual/input_standard.rst", "dla/users-manual/output.rst", "dsqss/about_dsqss.rst", "dsqss/index.rst", "dsqss/install.rst", "dsqss/usage.rst", "index.rst", "pmwa/tutorial/input_file.rst", "pmwa/tutorial/intro.rst", "pmwa/tutorial/lattgene.rst", "pmwa/tutorial/model.rst", "pmwa/tutorial/output.rst", "pmwa/tutorial/output_file.rst", "pmwa/tutorial/sample_Heisenberg.rst", "pmwa/tutorial/tu-index.rst", "pmwa/tutorial/tutorial.rst", "pmwa/tutorial/usage.rst"], "titles": ["3.4. Number density of the hardcore Bosons on a square lattice", "3. Tutorial of DSQSS/DLA", "3.1. What\u2019s DSQSS/DLA?", "3.3. Magnetic Susceptibility of antiferromagnetic spin chains", "3.2. Energy calculation of the antiferromagnetic Heisenberg dimer by DSQSS/DLA", "4.5. Directed loop algorithm solver dla", "4.4. Input file generators for DSQSS/DLA", "4. User\u2019s manual of DSQSS/DLA", "4.3. Input files for DSQSS/DLA", "4.1. Simple mode of DSQSS/DLA", "4.2. Standard input files for DSQSS/DLA", "4.6. Output of DSQSS/DLA", "1. About DSQSS", "<no title>", "2. How to install", "Usage", "DSQSS \u2013 Discrete Space Quantum Systems Solver", "6.1. Input files for DSQSS/PMWA", "5.1. About DSQSS/PMWA", "5.2.1. Make an input file for a lattice", "5.2.2. Make an input file for DSQSS/PMWA", "5.2.3. Run DSQSS/PMWA", "6.2. Output files for DSQSS/PMWA", "5.3. Calculation of the energy on spin chain by DSQSS/PMWA", "6. User\u2019s manual for DSQSS/PMWA", "5. Tutorial of DSQSS/PMWA", "5.2. 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a, +div.sphinxsidebar p.logo a:hover, +div.sphinxsidebar h3 a:hover { + border: none; +} + +div.sphinxsidebar p { + color: #555; + margin: 10px 0; +} + +div.sphinxsidebar ul { + margin: 10px 0; + padding: 0; + color: #000; +} + +div.sphinxsidebar ul li.toctree-l1 > a { + font-size: 120%; +} + +div.sphinxsidebar ul li.toctree-l2 > a { + font-size: 110%; +} + +div.sphinxsidebar input { + border: 1px solid pink_1; + font-family: Georgia; + font-size: 1em; +} + +div.sphinxsidebar hr { + border: none; + height: 1px; + color: #AAA; + background: #AAA; + + text-align: left; + margin-left: 0; + width: 50%; +} + +div.sphinxsidebar .badge { + border-bottom: none; +} + +div.sphinxsidebar .badge:hover { + border-bottom: none; +} + +/* To address an issue with donation coming after search */ +div.sphinxsidebar h3.donation { + margin-top: 10px; +} + +/* -- body styles ----------------------------------------------------------- */ + +a { + color: #004B6B; + text-decoration: underline; +} + +a:hover { 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Georgia; + font-weight: normal; + font-size: 24px; + margin: 0 0 10px 0; + padding: 0; + line-height: 1; +} + +div.admonition p.last { + margin-bottom: 0; +} + +div.highlight { + background-color: #fff; +} + +dt:target, .highlight { + background: #FAF3E8; +} + +div.warning { + background-color: #FCC; + border: 1px solid #FAA; +} + +div.danger { + background-color: #FCC; + border: 1px solid #FAA; + -moz-box-shadow: 2px 2px 4px #D52C2C; + -webkit-box-shadow: 2px 2px 4px #D52C2C; + box-shadow: 2px 2px 4px #D52C2C; +} + +div.error { + background-color: #FCC; + border: 1px solid #FAA; + -moz-box-shadow: 2px 2px 4px #D52C2C; + -webkit-box-shadow: 2px 2px 4px #D52C2C; + box-shadow: 2px 2px 4px #D52C2C; +} + +div.caution { + background-color: #FCC; + border: 1px solid #FAA; +} + +div.attention { + background-color: #FCC; + border: 1px solid #FAA; +} + +div.important { + background-color: #EEE; + border: 1px solid #CCC; +} + +div.note { + background-color: #EEE; + border: 1px solid #CCC; +} + +div.tip { + background-color: #EEE; + border: 1px solid #CCC; +} + +div.hint { + background-color: #EEE; + border: 1px solid #CCC; +} + +div.seealso { + background-color: #EEE; + border: 1px solid #CCC; +} + +div.topic { + background-color: #EEE; +} + +p.admonition-title { + display: inline; +} + +p.admonition-title:after { + content: ":"; +} + +pre, tt, code { + font-family: 'Consolas', 'Menlo', 'DejaVu Sans Mono', 'Bitstream Vera Sans Mono', monospace; + font-size: 0.9em; +} + +.hll { + background-color: #FFC; + margin: 0 -12px; + padding: 0 12px; + display: block; +} + +img.screenshot { +} + +tt.descname, tt.descclassname, code.descname, code.descclassname { + font-size: 0.95em; +} + +tt.descname, code.descname { + padding-right: 0.08em; +} + +img.screenshot { + -moz-box-shadow: 2px 2px 4px #EEE; + -webkit-box-shadow: 2px 2px 4px #EEE; + box-shadow: 2px 2px 4px #EEE; +} + +table.docutils { + border: 1px solid #888; + -moz-box-shadow: 2px 2px 4px #EEE; + -webkit-box-shadow: 2px 2px 4px #EEE; + box-shadow: 2px 2px 4px #EEE; +} + +table.docutils td, table.docutils th { + border: 1px solid #888; + padding: 0.25em 0.7em; +} + +table.field-list, table.footnote { + border: none; + -moz-box-shadow: none; + -webkit-box-shadow: none; + box-shadow: none; +} + +table.footnote { + margin: 15px 0; + width: 100%; + border: 1px solid #EEE; + background: #FDFDFD; + font-size: 0.9em; +} + +table.footnote + table.footnote { + margin-top: -15px; + border-top: none; +} + +table.field-list th { + padding: 0 0.8em 0 0; +} + +table.field-list td { + padding: 0; +} + +table.field-list p { + margin-bottom: 0.8em; +} + +/* Cloned from + * https://github.com/sphinx-doc/sphinx/commit/ef60dbfce09286b20b7385333d63a60321784e68 + */ +.field-name { + -moz-hyphens: manual; + -ms-hyphens: manual; + -webkit-hyphens: manual; + hyphens: manual; +} + +table.footnote td.label { + width: .1px; + padding: 0.3em 0 0.3em 0.5em; +} + +table.footnote td { + padding: 0.3em 0.5em; +} + +dl { + margin-left: 0; + margin-right: 0; + margin-top: 0; + padding: 0; +} + +dl dd { + margin-left: 30px; +} + +blockquote { + margin: 0 0 0 30px; + padding: 0; +} + +ul, ol { + /* Matches the 30px from the narrow-screen "li > ul" selector below */ + margin: 10px 0 10px 30px; + padding: 0; +} + +pre { + background: #EEE; + padding: 7px 30px; + margin: 15px 0px; + line-height: 1.3em; +} + +div.viewcode-block:target { + background: #ffd; +} + +dl pre, blockquote pre, li pre { + margin-left: 0; + padding-left: 30px; +} + +tt, code { + background-color: #ecf0f3; + color: #222; + /* padding: 1px 2px; */ +} + +tt.xref, code.xref, a tt { + background-color: #FBFBFB; + border-bottom: 1px solid #fff; +} + +a.reference { + text-decoration: none; + border-bottom: 1px dotted #004B6B; +} + +/* Don't put an underline on images */ +a.image-reference, a.image-reference:hover { + border-bottom: none; +} + +a.reference:hover { + border-bottom: 1px solid #6D4100; +} + +a.footnote-reference { + text-decoration: none; + font-size: 0.7em; + vertical-align: top; + border-bottom: 1px dotted #004B6B; +} + +a.footnote-reference:hover { + border-bottom: 1px solid #6D4100; +} + +a:hover tt, a:hover code { + background: #EEE; +} + + +@media screen and (max-width: 870px) { + + div.sphinxsidebar { + display: none; + } + + div.document { + width: 100%; + + } + + div.documentwrapper { + margin-left: 0; + margin-top: 0; + margin-right: 0; + margin-bottom: 0; + } + + div.bodywrapper { + margin-top: 0; + margin-right: 0; + margin-bottom: 0; + margin-left: 0; + } + + ul { + margin-left: 0; + } + + li > ul { + /* Matches the 30px from the "ul, ol" selector above */ + margin-left: 30px; + } + + .document { + width: auto; + } + + .footer { + width: auto; + } + + .bodywrapper { + margin: 0; + } + + .footer { + width: auto; + } + + .github { + display: none; + } + + + +} + + + +@media screen and (max-width: 875px) { + + body { + margin: 0; + padding: 20px 30px; + } + + div.documentwrapper { + float: none; + background: #fff; + } + + div.sphinxsidebar { + display: block; + float: none; + width: 102.5%; + margin: 50px -30px -20px -30px; + padding: 10px 20px; + background: #333; + color: #FFF; + } + + div.sphinxsidebar h3, div.sphinxsidebar h4, div.sphinxsidebar p, + div.sphinxsidebar h3 a { + color: #fff; + } + + div.sphinxsidebar a { + color: #AAA; + } + + div.sphinxsidebar p.logo { + display: none; + } + + div.document { + width: 100%; + margin: 0; + } + + div.footer { + display: none; + } + + div.bodywrapper { + margin: 0; + } + + div.body { + min-height: 0; + padding: 0; + } + + .rtd_doc_footer { + display: none; + } + + .document { + width: auto; + } + + .footer { + width: auto; + } + + .footer { + width: auto; + } + + .github { + display: none; + } +} + + +/* misc. */ + +.revsys-inline { + display: none!important; +} + +/* Make nested-list/multi-paragraph items look better in Releases changelog + * pages. Without this, docutils' magical list fuckery causes inconsistent + * formatting between different release sub-lists. + */ +div#changelog > div.section > ul > li > p:only-child { + margin-bottom: 0; +} + +/* Hide fugly table cell borders in ..bibliography:: directive output */ +table.docutils.citation, table.docutils.citation td, table.docutils.citation th { + border: none; + /* Below needed in some edge cases; if not applied, bottom shadows appear */ + -moz-box-shadow: none; + -webkit-box-shadow: none; + box-shadow: none; +} + + +/* relbar */ + +.related { + line-height: 30px; + width: 100%; + font-size: 0.9rem; +} + +.related.top { + border-bottom: 1px solid #EEE; + margin-bottom: 20px; +} + +.related.bottom { + border-top: 1px solid #EEE; +} + +.related ul { + padding: 0; + margin: 0; + list-style: none; +} + +.related li { + display: inline; +} + +nav#rellinks { + float: right; +} + +nav#rellinks li+li:before { + content: "|"; +} + +nav#breadcrumbs li+li:before { + content: "\00BB"; +} + +/* Hide certain items when printing */ +@media print { + div.related { + display: none; + } +} \ No newline at end of file diff --git a/manual/v2.0.5/jp/_static/basic.css b/manual/v2.0.5/jp/_static/basic.css new file mode 100644 index 00000000..cfc60b86 --- /dev/null +++ b/manual/v2.0.5/jp/_static/basic.css @@ -0,0 +1,921 @@ +/* + * basic.css + * ~~~~~~~~~ + * + * Sphinx stylesheet -- basic theme. + * + * :copyright: Copyright 2007-2023 by the Sphinx team, see AUTHORS. + * :license: BSD, see LICENSE for details. + * + */ + +/* -- main layout ----------------------------------------------------------- */ + +div.clearer { + clear: both; +} + +div.section::after { + display: block; + content: ''; + clear: left; +} + +/* -- relbar ---------------------------------------------------------------- */ + +div.related { + width: 100%; + font-size: 90%; +} + +div.related h3 { + display: none; +} + +div.related ul { + margin: 0; + padding: 0 0 0 10px; + list-style: none; +} + +div.related li { + display: inline; +} + +div.related li.right { + float: right; + margin-right: 5px; +} + +/* -- sidebar --------------------------------------------------------------- */ + +div.sphinxsidebarwrapper { + padding: 10px 5px 0 10px; +} + +div.sphinxsidebar { + float: left; + width: 230px; + margin-left: -100%; + font-size: 90%; + word-wrap: break-word; + overflow-wrap : break-word; +} + +div.sphinxsidebar ul { + list-style: none; +} + +div.sphinxsidebar ul ul, +div.sphinxsidebar ul.want-points { + margin-left: 20px; + list-style: square; +} + +div.sphinxsidebar ul ul { + margin-top: 0; + margin-bottom: 0; +} + +div.sphinxsidebar form { + margin-top: 10px; +} + +div.sphinxsidebar input { + border: 1px solid #98dbcc; + font-family: sans-serif; + font-size: 1em; +} + +div.sphinxsidebar #searchbox form.search { + overflow: hidden; +} + +div.sphinxsidebar #searchbox input[type="text"] { + float: left; + width: 80%; + padding: 0.25em; + box-sizing: border-box; +} + +div.sphinxsidebar #searchbox input[type="submit"] { + float: left; + width: 20%; + border-left: none; + padding: 0.25em; + box-sizing: border-box; +} + + +img { + border: 0; + max-width: 100%; +} + +/* -- search page ----------------------------------------------------------- */ + +ul.search { + margin: 10px 0 0 20px; + padding: 0; +} + +ul.search li { + padding: 5px 0 5px 20px; + background-image: url(file.png); + background-repeat: no-repeat; + background-position: 0 7px; +} + +ul.search li a { + font-weight: bold; +} + +ul.search li p.context { + color: #888; + margin: 2px 0 0 30px; + text-align: left; +} + +ul.keywordmatches li.goodmatch a { + font-weight: bold; +} + +/* -- index page ------------------------------------------------------------ */ + +table.contentstable { + width: 90%; + margin-left: auto; + margin-right: auto; +} + +table.contentstable p.biglink { + line-height: 150%; +} + +a.biglink { + font-size: 1.3em; +} + +span.linkdescr { + font-style: italic; + padding-top: 5px; + font-size: 90%; +} + +/* -- general index --------------------------------------------------------- */ + +table.indextable { + width: 100%; +} + +table.indextable td { + text-align: left; + vertical-align: top; +} + +table.indextable ul { + margin-top: 0; + margin-bottom: 0; + list-style-type: none; +} + +table.indextable > tbody > tr > td > ul { + padding-left: 0em; +} + +table.indextable tr.pcap { + height: 10px; +} + +table.indextable tr.cap { + margin-top: 10px; + background-color: #f2f2f2; +} + +img.toggler { + margin-right: 3px; + margin-top: 3px; + cursor: pointer; +} + +div.modindex-jumpbox { + border-top: 1px solid #ddd; + border-bottom: 1px solid #ddd; + margin: 1em 0 1em 0; + padding: 0.4em; +} + +div.genindex-jumpbox { + border-top: 1px solid #ddd; + border-bottom: 1px solid #ddd; + margin: 1em 0 1em 0; + padding: 0.4em; +} + +/* -- domain module index --------------------------------------------------- */ + +table.modindextable td { + padding: 2px; + border-collapse: collapse; +} + +/* -- general body styles --------------------------------------------------- */ + +div.body { + min-width: 360px; + max-width: 800px; +} + +div.body p, div.body dd, div.body li, div.body blockquote { + -moz-hyphens: auto; + -ms-hyphens: auto; + -webkit-hyphens: auto; + hyphens: auto; +} + +a.headerlink { + visibility: hidden; +} + +h1:hover > a.headerlink, +h2:hover > a.headerlink, +h3:hover > a.headerlink, +h4:hover > a.headerlink, +h5:hover > a.headerlink, +h6:hover > a.headerlink, +dt:hover > a.headerlink, +caption:hover > a.headerlink, +p.caption:hover > a.headerlink, +div.code-block-caption:hover > a.headerlink { + visibility: visible; +} + +div.body p.caption { + text-align: inherit; +} + +div.body td { + text-align: left; +} + +.first { + margin-top: 0 !important; +} + +p.rubric { + margin-top: 30px; + font-weight: bold; +} + +img.align-left, figure.align-left, .figure.align-left, object.align-left { + clear: left; + float: left; + margin-right: 1em; +} + +img.align-right, figure.align-right, .figure.align-right, object.align-right { + clear: right; + float: right; + margin-left: 1em; +} + +img.align-center, figure.align-center, .figure.align-center, object.align-center { + display: block; + margin-left: auto; + margin-right: auto; +} + +img.align-default, figure.align-default, .figure.align-default { + display: block; + margin-left: auto; + margin-right: auto; +} + +.align-left { + text-align: left; +} + +.align-center { + text-align: center; +} + +.align-default { + text-align: center; +} + +.align-right { + text-align: right; +} + +/* -- sidebars -------------------------------------------------------------- */ + +div.sidebar, +aside.sidebar { + margin: 0 0 0.5em 1em; + border: 1px solid #ddb; + padding: 7px; + background-color: #ffe; + width: 40%; + float: right; + clear: right; + overflow-x: auto; +} + +p.sidebar-title { + font-weight: bold; +} + +nav.contents, +aside.topic, +div.admonition, div.topic, blockquote { + clear: left; +} + +/* -- topics ---------------------------------------------------------------- */ + +nav.contents, +aside.topic, +div.topic { + border: 1px solid #ccc; + padding: 7px; + margin: 10px 0 10px 0; +} + +p.topic-title { + font-size: 1.1em; + font-weight: bold; + margin-top: 10px; +} + +/* -- admonitions ----------------------------------------------------------- */ + +div.admonition { + margin-top: 10px; + margin-bottom: 10px; + padding: 7px; +} + +div.admonition dt { + font-weight: bold; +} + +p.admonition-title { + margin: 0px 10px 5px 0px; + font-weight: bold; +} + +div.body p.centered { + text-align: center; + margin-top: 25px; +} + +/* -- content of sidebars/topics/admonitions -------------------------------- */ + +div.sidebar > :last-child, +aside.sidebar > :last-child, +nav.contents > :last-child, +aside.topic > :last-child, +div.topic > :last-child, +div.admonition > :last-child { + margin-bottom: 0; +} + +div.sidebar::after, +aside.sidebar::after, +nav.contents::after, +aside.topic::after, +div.topic::after, +div.admonition::after, +blockquote::after { + display: block; + content: ''; + clear: both; +} + +/* -- tables ---------------------------------------------------------------- */ + +table.docutils { + margin-top: 10px; + margin-bottom: 10px; + border: 0; + border-collapse: collapse; +} + +table.align-center { + margin-left: auto; + margin-right: auto; +} + +table.align-default { + margin-left: auto; + margin-right: auto; +} + +table caption span.caption-number { + font-style: italic; +} + +table caption span.caption-text { +} + +table.docutils td, table.docutils th { + padding: 1px 8px 1px 5px; + border-top: 0; + border-left: 0; + border-right: 0; + border-bottom: 1px solid #aaa; +} + +th { + text-align: left; + padding-right: 5px; +} + +table.citation { + border-left: solid 1px gray; + margin-left: 1px; +} + +table.citation td { + border-bottom: none; +} + +th > :first-child, +td > :first-child { + margin-top: 0px; +} + +th > :last-child, +td > :last-child { + margin-bottom: 0px; +} + +/* -- figures --------------------------------------------------------------- */ + +div.figure, figure { + margin: 0.5em; + padding: 0.5em; +} + +div.figure p.caption, figcaption { + padding: 0.3em; +} + +div.figure p.caption span.caption-number, +figcaption span.caption-number { + font-style: italic; +} + +div.figure p.caption span.caption-text, +figcaption span.caption-text { +} + +/* -- field list styles ----------------------------------------------------- */ + +table.field-list td, table.field-list th { + border: 0 !important; +} + +.field-list ul { + margin: 0; + padding-left: 1em; +} + +.field-list p { + margin: 0; +} + +.field-name { + -moz-hyphens: manual; + -ms-hyphens: manual; + -webkit-hyphens: manual; + hyphens: manual; +} + +/* -- hlist styles ---------------------------------------------------------- */ + +table.hlist { + margin: 1em 0; +} + +table.hlist td { + vertical-align: top; +} + +/* -- object description styles --------------------------------------------- */ + +.sig { + font-family: 'Consolas', 'Menlo', 'DejaVu Sans Mono', 'Bitstream Vera Sans Mono', monospace; +} + +.sig-name, code.descname { + background-color: transparent; + font-weight: bold; +} + +.sig-name { + font-size: 1.1em; +} + +code.descname { + font-size: 1.2em; +} + +.sig-prename, code.descclassname { + background-color: transparent; +} + +.optional { + font-size: 1.3em; +} + +.sig-paren { + font-size: larger; +} + +.sig-param.n { + font-style: italic; +} + +/* C++ specific styling */ + +.sig-inline.c-texpr, +.sig-inline.cpp-texpr { + font-family: unset; +} + +.sig.c .k, .sig.c .kt, +.sig.cpp .k, .sig.cpp .kt { + color: #0033B3; +} + +.sig.c .m, +.sig.cpp .m { + color: #1750EB; +} + +.sig.c .s, .sig.c .sc, +.sig.cpp .s, .sig.cpp .sc { + color: #067D17; +} + + +/* -- other body styles ----------------------------------------------------- */ + +ol.arabic { + list-style: decimal; +} + +ol.loweralpha { + list-style: lower-alpha; +} + +ol.upperalpha { + list-style: upper-alpha; +} + +ol.lowerroman { + list-style: lower-roman; +} + +ol.upperroman { + list-style: upper-roman; +} + +:not(li) > ol > li:first-child > :first-child, +:not(li) > ul > li:first-child > :first-child { + margin-top: 0px; +} + +:not(li) > ol > li:last-child > :last-child, +:not(li) > ul > li:last-child > :last-child { + margin-bottom: 0px; +} + +ol.simple ol p, +ol.simple ul p, +ul.simple ol p, +ul.simple ul p { + margin-top: 0; +} + +ol.simple > li:not(:first-child) > p, +ul.simple > li:not(:first-child) > p { + margin-top: 0; +} + +ol.simple p, +ul.simple p { + margin-bottom: 0; +} + +aside.footnote > span, +div.citation > span { + float: left; +} +aside.footnote > span:last-of-type, +div.citation > span:last-of-type { + padding-right: 0.5em; +} +aside.footnote > p { + margin-left: 2em; +} +div.citation > p { + margin-left: 4em; +} +aside.footnote > p:last-of-type, +div.citation > p:last-of-type { + margin-bottom: 0em; +} +aside.footnote > p:last-of-type:after, +div.citation > p:last-of-type:after { + content: ""; + clear: both; +} + +dl.field-list { + display: grid; + grid-template-columns: fit-content(30%) auto; +} + +dl.field-list > dt { + font-weight: bold; + word-break: break-word; + padding-left: 0.5em; + padding-right: 5px; +} + +dl.field-list > dd { + padding-left: 0.5em; + margin-top: 0em; + margin-left: 0em; + margin-bottom: 0em; +} + +dl { + margin-bottom: 15px; +} + +dd > :first-child { + margin-top: 0px; +} + +dd ul, dd table { + margin-bottom: 10px; +} + +dd { + margin-top: 3px; + margin-bottom: 10px; + margin-left: 30px; +} + +.sig dd { + margin-top: 0px; + margin-bottom: 0px; +} + +.sig dl { + margin-top: 0px; + margin-bottom: 0px; +} + +dl > dd:last-child, +dl > dd:last-child > :last-child { + margin-bottom: 0; +} + +dt:target, span.highlighted { + background-color: #fbe54e; +} + +rect.highlighted { + fill: #fbe54e; +} + +dl.glossary dt { + font-weight: bold; + font-size: 1.1em; +} + +.versionmodified { + font-style: italic; +} + +.system-message { + background-color: #fda; + padding: 5px; + border: 3px solid red; +} + +.footnote:target { + background-color: #ffa; +} + +.line-block { + display: block; + margin-top: 1em; + margin-bottom: 1em; +} + +.line-block .line-block { + margin-top: 0; + margin-bottom: 0; + margin-left: 1.5em; +} + +.guilabel, .menuselection { + font-family: sans-serif; +} + +.accelerator { + text-decoration: underline; +} + +.classifier { + font-style: oblique; +} + +.classifier:before { + font-style: normal; + margin: 0 0.5em; + content: ":"; + display: inline-block; +} + +abbr, acronym { + border-bottom: dotted 1px; + cursor: help; +} + +.translated { + background-color: rgba(207, 255, 207, 0.2) +} + +.untranslated { + background-color: rgba(255, 207, 207, 0.2) +} + +/* -- code displays --------------------------------------------------------- */ + +pre { + overflow: auto; + overflow-y: hidden; /* fixes display issues on Chrome browsers */ +} + +pre, div[class*="highlight-"] { + clear: both; +} + +span.pre { + -moz-hyphens: none; + -ms-hyphens: none; + -webkit-hyphens: none; + hyphens: none; + white-space: nowrap; +} + +div[class*="highlight-"] { + margin: 1em 0; +} + +td.linenos pre { + border: 0; + background-color: transparent; + color: #aaa; +} + +table.highlighttable { + display: block; +} + +table.highlighttable tbody { + display: block; +} + +table.highlighttable tr { + display: flex; +} + +table.highlighttable td { + margin: 0; + padding: 0; +} + +table.highlighttable td.linenos { + padding-right: 0.5em; +} + +table.highlighttable td.code { + flex: 1; + overflow: hidden; +} + +.highlight .hll { + display: block; +} + +div.highlight pre, +table.highlighttable pre { + margin: 0; +} + +div.code-block-caption + div { + margin-top: 0; +} + +div.code-block-caption { + margin-top: 1em; + padding: 2px 5px; + font-size: small; +} + +div.code-block-caption code { + background-color: transparent; +} + +table.highlighttable td.linenos, +span.linenos, +div.highlight span.gp { /* gp: Generic.Prompt */ + user-select: none; + -webkit-user-select: text; /* Safari fallback only */ + -webkit-user-select: none; /* Chrome/Safari */ + -moz-user-select: none; /* Firefox */ + -ms-user-select: none; /* IE10+ */ +} + +div.code-block-caption span.caption-number { + padding: 0.1em 0.3em; + font-style: italic; +} + +div.code-block-caption span.caption-text { +} + +div.literal-block-wrapper { + margin: 1em 0; +} + +code.xref, a code { + background-color: transparent; + font-weight: bold; +} + +h1 code, h2 code, h3 code, h4 code, h5 code, h6 code { + background-color: transparent; +} + +.viewcode-link { + float: right; +} + +.viewcode-back { + float: right; + font-family: sans-serif; +} + +div.viewcode-block:target { + margin: -1px -10px; + padding: 0 10px; +} + +/* -- math display ---------------------------------------------------------- */ + +img.math { + vertical-align: middle; +} + +div.body div.math p { + text-align: center; +} + +span.eqno { + float: right; +} + +span.eqno a.headerlink { + position: absolute; + z-index: 1; +} + +div.math:hover a.headerlink { + visibility: visible; +} + +/* -- printout stylesheet --------------------------------------------------- */ + +@media print { + div.document, + div.documentwrapper, + div.bodywrapper { + margin: 0 !important; + width: 100%; + } + + div.sphinxsidebar, + div.related, + div.footer, + #top-link { + display: none; + } +} \ No newline at end of file diff --git a/manual/v2.0.5/jp/_static/custom.css b/manual/v2.0.5/jp/_static/custom.css new file mode 100644 index 00000000..2a924f1d --- /dev/null +++ b/manual/v2.0.5/jp/_static/custom.css @@ -0,0 +1 @@ +/* This file intentionally left blank. */ diff --git a/manual/v2.0.5/jp/_static/doctools.js b/manual/v2.0.5/jp/_static/doctools.js new file mode 100644 index 00000000..d06a71d7 --- /dev/null +++ b/manual/v2.0.5/jp/_static/doctools.js @@ -0,0 +1,156 @@ +/* + * doctools.js + * ~~~~~~~~~~~ + * + * Base JavaScript utilities for all Sphinx HTML documentation. + * + * :copyright: Copyright 2007-2023 by the Sphinx team, see AUTHORS. + * :license: BSD, see LICENSE for details. + * + */ +"use strict"; + +const BLACKLISTED_KEY_CONTROL_ELEMENTS = new Set([ + "TEXTAREA", + "INPUT", + "SELECT", + "BUTTON", +]); + +const _ready = (callback) => { + if (document.readyState !== "loading") { + callback(); + } else { + document.addEventListener("DOMContentLoaded", callback); + } +}; + +/** + * Small JavaScript module for the documentation. + */ +const Documentation = { + init: () => { + Documentation.initDomainIndexTable(); + Documentation.initOnKeyListeners(); + }, + + /** + * i18n support + */ + TRANSLATIONS: {}, + PLURAL_EXPR: (n) => (n === 1 ? 0 : 1), + LOCALE: "unknown", + + // gettext and ngettext don't access this so that the functions + // can safely bound to a different name (_ = Documentation.gettext) + gettext: (string) => { + const translated = Documentation.TRANSLATIONS[string]; + switch (typeof translated) { + case "undefined": + return string; // no translation + case "string": + return translated; // translation exists + default: + return translated[0]; // (singular, plural) translation tuple exists + } + }, + + ngettext: (singular, plural, n) => { + const translated = Documentation.TRANSLATIONS[singular]; + if (typeof translated !== "undefined") + return translated[Documentation.PLURAL_EXPR(n)]; + return n === 1 ? singular : plural; + }, + + addTranslations: (catalog) => { + Object.assign(Documentation.TRANSLATIONS, catalog.messages); + Documentation.PLURAL_EXPR = new Function( + "n", + `return (${catalog.plural_expr})` + ); + Documentation.LOCALE = catalog.locale; + }, + + /** + * helper function to focus on search bar + */ + focusSearchBar: () => { + document.querySelectorAll("input[name=q]")[0]?.focus(); + }, + + /** + * Initialise the domain index toggle buttons + */ + initDomainIndexTable: () => { + const toggler = (el) => { + const idNumber = el.id.substr(7); + const toggledRows = document.querySelectorAll(`tr.cg-${idNumber}`); + if (el.src.substr(-9) === "minus.png") { + el.src = `${el.src.substr(0, el.src.length - 9)}plus.png`; + toggledRows.forEach((el) => (el.style.display = "none")); + } else { + el.src = `${el.src.substr(0, el.src.length - 8)}minus.png`; + toggledRows.forEach((el) => (el.style.display = "")); + } + }; + + const togglerElements = document.querySelectorAll("img.toggler"); + togglerElements.forEach((el) => + el.addEventListener("click", (event) => toggler(event.currentTarget)) + ); + togglerElements.forEach((el) => (el.style.display = "")); + if (DOCUMENTATION_OPTIONS.COLLAPSE_INDEX) togglerElements.forEach(toggler); + }, + + initOnKeyListeners: () => { + // only install a listener if it is really needed + if ( + !DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS && + !DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS + ) + return; + + document.addEventListener("keydown", (event) => { + // bail for input elements + if (BLACKLISTED_KEY_CONTROL_ELEMENTS.has(document.activeElement.tagName)) return; + // bail with special keys + if (event.altKey || event.ctrlKey || event.metaKey) return; + + if (!event.shiftKey) { + switch (event.key) { + case "ArrowLeft": + if (!DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS) break; + + const prevLink = document.querySelector('link[rel="prev"]'); + if (prevLink && prevLink.href) { + window.location.href = prevLink.href; + event.preventDefault(); + } + break; + case "ArrowRight": + if (!DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS) break; + + const nextLink = document.querySelector('link[rel="next"]'); + if (nextLink && nextLink.href) { + window.location.href = nextLink.href; + event.preventDefault(); + } + break; + } + } + + // some keyboard layouts may need Shift to get / + switch (event.key) { + case "/": + if (!DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS) break; + Documentation.focusSearchBar(); + event.preventDefault(); + } + }); + }, +}; + +// quick alias for translations +const _ = Documentation.gettext; + +_ready(Documentation.init); diff --git a/manual/v2.0.5/jp/_static/documentation_options.js b/manual/v2.0.5/jp/_static/documentation_options.js new file mode 100644 index 00000000..0bf3f993 --- /dev/null +++ b/manual/v2.0.5/jp/_static/documentation_options.js @@ -0,0 +1,14 @@ +var DOCUMENTATION_OPTIONS = { + URL_ROOT: document.getElementById("documentation_options").getAttribute('data-url_root'), + VERSION: '2.0.5', + LANGUAGE: 'ja', + COLLAPSE_INDEX: false, + BUILDER: 'html', + FILE_SUFFIX: '.html', + LINK_SUFFIX: '.html', + HAS_SOURCE: true, + SOURCELINK_SUFFIX: '.txt', + NAVIGATION_WITH_KEYS: false, + SHOW_SEARCH_SUMMARY: true, + ENABLE_SEARCH_SHORTCUTS: true, +}; 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+ +/** + * Simple result scoring code. + */ +if (typeof Scorer === "undefined") { + var Scorer = { + // Implement the following function to further tweak the score for each result + // The function takes a result array [docname, title, anchor, descr, score, filename] + // and returns the new score. + /* + score: result => { + const [docname, title, anchor, descr, score, filename] = result + return score + }, + */ + + // query matches the full name of an object + objNameMatch: 11, + // or matches in the last dotted part of the object name + objPartialMatch: 6, + // Additive scores depending on the priority of the object + objPrio: { + 0: 15, // used to be importantResults + 1: 5, // used to be objectResults + 2: -5, // used to be unimportantResults + }, + // Used when the priority is not in the mapping. + objPrioDefault: 0, + + // query found in title + title: 15, + partialTitle: 7, + // query found in terms + term: 5, + partialTerm: 2, + }; +} + +const _removeChildren = (element) => { + while (element && element.lastChild) element.removeChild(element.lastChild); +}; + +/** + * See https://developer.mozilla.org/en-US/docs/Web/JavaScript/Guide/Regular_Expressions#escaping + */ +const _escapeRegExp = (string) => + string.replace(/[.*+\-?^${}()|[\]\\]/g, "\\$&"); // $& means the whole matched string + +const _displayItem = (item, searchTerms) => { + const docBuilder = DOCUMENTATION_OPTIONS.BUILDER; + const docUrlRoot = DOCUMENTATION_OPTIONS.URL_ROOT; + const docFileSuffix = DOCUMENTATION_OPTIONS.FILE_SUFFIX; + const docLinkSuffix = DOCUMENTATION_OPTIONS.LINK_SUFFIX; + const showSearchSummary = DOCUMENTATION_OPTIONS.SHOW_SEARCH_SUMMARY; + + const [docName, title, anchor, descr, score, _filename] = item; + + let listItem = document.createElement("li"); + let requestUrl; + let linkUrl; + if (docBuilder === "dirhtml") { + // dirhtml builder + let dirname = docName + "/"; + if (dirname.match(/\/index\/$/)) + dirname = dirname.substring(0, dirname.length - 6); + else if (dirname === "index/") dirname = ""; + requestUrl = docUrlRoot + dirname; + linkUrl = requestUrl; + } else { + // normal html builders + requestUrl = docUrlRoot + docName + docFileSuffix; + linkUrl = docName + docLinkSuffix; + } + let linkEl = listItem.appendChild(document.createElement("a")); + linkEl.href = linkUrl + anchor; + linkEl.dataset.score = score; + linkEl.innerHTML = title; + if (descr) + listItem.appendChild(document.createElement("span")).innerHTML = + " (" + descr + ")"; + else if (showSearchSummary) + fetch(requestUrl) + .then((responseData) => responseData.text()) + .then((data) => { + if (data) + listItem.appendChild( + Search.makeSearchSummary(data, searchTerms) + ); + }); + Search.output.appendChild(listItem); +}; +const _finishSearch = (resultCount) => { + Search.stopPulse(); + Search.title.innerText = _("Search Results"); + if (!resultCount) + Search.status.innerText = Documentation.gettext( + "Your search did not match any documents. Please make sure that all words are spelled correctly and that you've selected enough categories." + ); + else + Search.status.innerText = _( + `Search finished, found ${resultCount} page(s) matching the search query.` + ); +}; +const _displayNextItem = ( + results, + resultCount, + searchTerms +) => { + // results left, load the summary and display it + // this is intended to be dynamic (don't sub resultsCount) + if (results.length) { + _displayItem(results.pop(), searchTerms); + setTimeout( + () => _displayNextItem(results, resultCount, searchTerms), + 5 + ); + } + // search finished, update title and status message + else _finishSearch(resultCount); +}; + +/** + * Default splitQuery function. Can be overridden in ``sphinx.search`` with a + * custom function per language. + * + * The regular expression works by splitting the string on consecutive characters + * that are not Unicode letters, numbers, underscores, or emoji characters. + * This is the same as ``\W+`` in Python, preserving the surrogate pair area. + */ +if (typeof splitQuery === "undefined") { + var splitQuery = (query) => query + .split(/[^\p{Letter}\p{Number}_\p{Emoji_Presentation}]+/gu) + .filter(term => term) // remove remaining empty strings +} + +/** + * Search Module + */ +const Search = { + _index: null, + _queued_query: null, + _pulse_status: -1, + + htmlToText: (htmlString) => { + const htmlElement = new DOMParser().parseFromString(htmlString, 'text/html'); + htmlElement.querySelectorAll(".headerlink").forEach((el) => { el.remove() }); + const docContent = htmlElement.querySelector('[role="main"]'); + if (docContent !== undefined) return docContent.textContent; + console.warn( + "Content block not found. Sphinx search tries to obtain it via '[role=main]'. Could you check your theme or template." + ); + return ""; + }, + + init: () => { + const query = new URLSearchParams(window.location.search).get("q"); + document + .querySelectorAll('input[name="q"]') + .forEach((el) => (el.value = query)); + if (query) Search.performSearch(query); + }, + + loadIndex: (url) => + (document.body.appendChild(document.createElement("script")).src = url), + + setIndex: (index) => { + Search._index = index; + if (Search._queued_query !== null) { + const query = Search._queued_query; + Search._queued_query = null; + Search.query(query); + } + }, + + hasIndex: () => Search._index !== null, + + deferQuery: (query) => (Search._queued_query = query), + + stopPulse: () => (Search._pulse_status = -1), + + startPulse: () => { + if (Search._pulse_status >= 0) return; + + const pulse = () => { + Search._pulse_status = (Search._pulse_status + 1) % 4; + Search.dots.innerText = ".".repeat(Search._pulse_status); + if (Search._pulse_status >= 0) window.setTimeout(pulse, 500); + }; + pulse(); + }, + + /** + * perform a search for something (or wait until index is loaded) + */ + performSearch: (query) => { + // create the required interface elements + const searchText = document.createElement("h2"); + searchText.textContent = _("Searching"); + const searchSummary = document.createElement("p"); + searchSummary.classList.add("search-summary"); + searchSummary.innerText = ""; + const searchList = document.createElement("ul"); + searchList.classList.add("search"); + + const out = document.getElementById("search-results"); + Search.title = out.appendChild(searchText); + Search.dots = Search.title.appendChild(document.createElement("span")); + Search.status = out.appendChild(searchSummary); + Search.output = out.appendChild(searchList); + + const searchProgress = document.getElementById("search-progress"); + // Some themes don't use the search progress node + if (searchProgress) { + searchProgress.innerText = _("Preparing search..."); + } + Search.startPulse(); + + // index already loaded, the browser was quick! + if (Search.hasIndex()) Search.query(query); + else Search.deferQuery(query); + }, + + /** + * execute search (requires search index to be loaded) + */ + query: (query) => { + const filenames = Search._index.filenames; + const docNames = Search._index.docnames; + const titles = Search._index.titles; + const allTitles = Search._index.alltitles; + const indexEntries = Search._index.indexentries; + + // stem the search terms and add them to the correct list + const stemmer = new Stemmer(); + const searchTerms = new Set(); + const excludedTerms = new Set(); + const highlightTerms = new Set(); + const objectTerms = new Set(splitQuery(query.toLowerCase().trim())); + splitQuery(query.trim()).forEach((queryTerm) => { + const queryTermLower = queryTerm.toLowerCase(); + + // maybe skip this "word" + // stopwords array is from language_data.js + if ( + stopwords.indexOf(queryTermLower) !== -1 || + queryTerm.match(/^\d+$/) + ) + return; + + // stem the word + let word = stemmer.stemWord(queryTermLower); + // select the correct list + if (word[0] === "-") excludedTerms.add(word.substr(1)); + else { + searchTerms.add(word); + highlightTerms.add(queryTermLower); + } + }); + + if (SPHINX_HIGHLIGHT_ENABLED) { // set in sphinx_highlight.js + localStorage.setItem("sphinx_highlight_terms", [...highlightTerms].join(" ")) + } + + // console.debug("SEARCH: searching for:"); + // console.info("required: ", [...searchTerms]); + // console.info("excluded: ", [...excludedTerms]); + + // array of [docname, title, anchor, descr, score, filename] + let results = []; + _removeChildren(document.getElementById("search-progress")); + + const queryLower = query.toLowerCase(); + for (const [title, foundTitles] of Object.entries(allTitles)) { + if (title.toLowerCase().includes(queryLower) && (queryLower.length >= title.length/2)) { + for (const [file, id] of foundTitles) { + let score = Math.round(100 * queryLower.length / title.length) + results.push([ + docNames[file], + titles[file] !== title ? `${titles[file]} > ${title}` : title, + id !== null ? "#" + id : "", + null, + score, + filenames[file], + ]); + } + } + } + + // search for explicit entries in index directives + for (const [entry, foundEntries] of Object.entries(indexEntries)) { + if (entry.includes(queryLower) && (queryLower.length >= entry.length/2)) { + for (const [file, id] of foundEntries) { + let score = Math.round(100 * queryLower.length / entry.length) + results.push([ + docNames[file], + titles[file], + id ? "#" + id : "", + null, + score, + filenames[file], + ]); + } + } + } + + // lookup as object + objectTerms.forEach((term) => + results.push(...Search.performObjectSearch(term, objectTerms)) + ); + + // lookup as search terms in fulltext + results.push(...Search.performTermsSearch(searchTerms, excludedTerms)); + + // let the scorer override scores with a custom scoring function + if (Scorer.score) results.forEach((item) => (item[4] = Scorer.score(item))); + + // now sort the results by score (in opposite order of appearance, since the + // display function below uses pop() to retrieve items) and then + // alphabetically + results.sort((a, b) => { + const leftScore = a[4]; + const rightScore = b[4]; + if (leftScore === rightScore) { + // same score: sort alphabetically + const leftTitle = a[1].toLowerCase(); + const rightTitle = b[1].toLowerCase(); + if (leftTitle === rightTitle) return 0; + return leftTitle > rightTitle ? -1 : 1; // inverted is intentional + } + return leftScore > rightScore ? 1 : -1; + }); + + // remove duplicate search results + // note the reversing of results, so that in the case of duplicates, the highest-scoring entry is kept + let seen = new Set(); + results = results.reverse().reduce((acc, result) => { + let resultStr = result.slice(0, 4).concat([result[5]]).map(v => String(v)).join(','); + if (!seen.has(resultStr)) { + acc.push(result); + seen.add(resultStr); + } + return acc; + }, []); + + results = results.reverse(); + + // for debugging + //Search.lastresults = results.slice(); // a copy + // console.info("search results:", Search.lastresults); + + // print the results + _displayNextItem(results, results.length, searchTerms); + }, + + /** + * search for object names + */ + performObjectSearch: (object, objectTerms) => { + const filenames = Search._index.filenames; + const docNames = Search._index.docnames; + const objects = Search._index.objects; + const objNames = Search._index.objnames; + const titles = Search._index.titles; + + const results = []; + + const objectSearchCallback = (prefix, match) => { + const name = match[4] + const fullname = (prefix ? prefix + "." : "") + name; + const fullnameLower = fullname.toLowerCase(); + if (fullnameLower.indexOf(object) < 0) return; + + let score = 0; + const parts = fullnameLower.split("."); + + // check for different match types: exact matches of full name or + // "last name" (i.e. last dotted part) + if (fullnameLower === object || parts.slice(-1)[0] === object) + score += Scorer.objNameMatch; + else if (parts.slice(-1)[0].indexOf(object) > -1) + score += Scorer.objPartialMatch; // matches in last name + + const objName = objNames[match[1]][2]; + const title = titles[match[0]]; + + // If more than one term searched for, we require other words to be + // found in the name/title/description + const otherTerms = new Set(objectTerms); + otherTerms.delete(object); + if (otherTerms.size > 0) { + const haystack = `${prefix} ${name} ${objName} ${title}`.toLowerCase(); + if ( + [...otherTerms].some((otherTerm) => haystack.indexOf(otherTerm) < 0) + ) + return; + } + + let anchor = match[3]; + if (anchor === "") anchor = fullname; + else if (anchor === "-") anchor = objNames[match[1]][1] + "-" + fullname; + + const descr = objName + _(", in ") + title; + + // add custom score for some objects according to scorer + if (Scorer.objPrio.hasOwnProperty(match[2])) + score += Scorer.objPrio[match[2]]; + else score += Scorer.objPrioDefault; + + results.push([ + docNames[match[0]], + fullname, + "#" + anchor, + descr, + score, + filenames[match[0]], + ]); + }; + Object.keys(objects).forEach((prefix) => + objects[prefix].forEach((array) => + objectSearchCallback(prefix, array) + ) + ); + return results; + }, + + /** + * search for full-text terms in the index + */ + performTermsSearch: (searchTerms, excludedTerms) => { + // prepare search + const terms = Search._index.terms; + const titleTerms = Search._index.titleterms; + const filenames = Search._index.filenames; + const docNames = Search._index.docnames; + const titles = Search._index.titles; + + const scoreMap = new Map(); + const fileMap = new Map(); + + // perform the search on the required terms + searchTerms.forEach((word) => { + const files = []; + const arr = [ + { files: terms[word], score: Scorer.term }, + { files: titleTerms[word], score: Scorer.title }, + ]; + // add support for partial matches + if (word.length > 2) { + const escapedWord = _escapeRegExp(word); + Object.keys(terms).forEach((term) => { + if (term.match(escapedWord) && !terms[word]) + arr.push({ files: terms[term], score: Scorer.partialTerm }); + }); + Object.keys(titleTerms).forEach((term) => { + if (term.match(escapedWord) && !titleTerms[word]) + arr.push({ files: titleTerms[word], score: Scorer.partialTitle }); + }); + } + + // no match but word was a required one + if (arr.every((record) => record.files === undefined)) return; + + // found search word in contents + arr.forEach((record) => { + if (record.files === undefined) return; + + let recordFiles = record.files; + if (recordFiles.length === undefined) recordFiles = [recordFiles]; + files.push(...recordFiles); + + // set score for the word in each file + recordFiles.forEach((file) => { + if (!scoreMap.has(file)) scoreMap.set(file, {}); + scoreMap.get(file)[word] = record.score; + }); + }); + + // create the mapping + files.forEach((file) => { + if (fileMap.has(file) && fileMap.get(file).indexOf(word) === -1) + fileMap.get(file).push(word); + else fileMap.set(file, [word]); + }); + }); + + // now check if the files don't contain excluded terms + const results = []; + for (const [file, wordList] of fileMap) { + // check if all requirements are matched + + // as search terms with length < 3 are discarded + const filteredTermCount = [...searchTerms].filter( + (term) => term.length > 2 + ).length; + if ( + wordList.length !== searchTerms.size && + wordList.length !== filteredTermCount + ) + continue; + + // ensure that none of the excluded terms is in the search result + if ( + [...excludedTerms].some( + (term) => + terms[term] === file || + titleTerms[term] === file || + (terms[term] || []).includes(file) || + (titleTerms[term] || []).includes(file) + ) + ) + break; + + // select one (max) score for the file. + const score = Math.max(...wordList.map((w) => scoreMap.get(file)[w])); + // add result to the result list + results.push([ + docNames[file], + titles[file], + "", + null, + score, + filenames[file], + ]); + } + return results; + }, + + /** + * helper function to return a node containing the + * search summary for a given text. keywords is a list + * of stemmed words. + */ + makeSearchSummary: (htmlText, keywords) => { + const text = Search.htmlToText(htmlText); + if (text === "") return null; + + const textLower = text.toLowerCase(); + const actualStartPosition = [...keywords] + .map((k) => textLower.indexOf(k.toLowerCase())) + .filter((i) => i > -1) + .slice(-1)[0]; + const startWithContext = Math.max(actualStartPosition - 120, 0); + + const top = startWithContext === 0 ? "" : "..."; + const tail = startWithContext + 240 < text.length ? "..." : ""; + + let summary = document.createElement("p"); + summary.classList.add("context"); + summary.textContent = top + text.substr(startWithContext, 240).trim() + tail; + + return summary; + }, +}; + +_ready(Search.init); diff --git a/manual/v2.0.5/jp/_static/sphinx_highlight.js b/manual/v2.0.5/jp/_static/sphinx_highlight.js new file mode 100644 index 00000000..aae669d7 --- /dev/null +++ b/manual/v2.0.5/jp/_static/sphinx_highlight.js @@ -0,0 +1,144 @@ +/* Highlighting utilities for Sphinx HTML documentation. */ +"use strict"; + +const SPHINX_HIGHLIGHT_ENABLED = true + +/** + * highlight a given string on a node by wrapping it in + * span elements with the given class name. + */ +const _highlight = (node, addItems, text, className) => { + if (node.nodeType === Node.TEXT_NODE) { + const val = node.nodeValue; + const parent = node.parentNode; + const pos = val.toLowerCase().indexOf(text); + if ( + pos >= 0 && + !parent.classList.contains(className) && + !parent.classList.contains("nohighlight") + ) { + let span; + + const closestNode = parent.closest("body, svg, foreignObject"); + const isInSVG = closestNode && closestNode.matches("svg"); + if (isInSVG) { + span = document.createElementNS("http://www.w3.org/2000/svg", "tspan"); + } else { + span = document.createElement("span"); + span.classList.add(className); + } + + span.appendChild(document.createTextNode(val.substr(pos, text.length))); + parent.insertBefore( + span, + parent.insertBefore( + document.createTextNode(val.substr(pos + text.length)), + node.nextSibling + ) + ); + node.nodeValue = val.substr(0, pos); + + if (isInSVG) { + const rect = document.createElementNS( + "http://www.w3.org/2000/svg", + "rect" + ); + const bbox = parent.getBBox(); + rect.x.baseVal.value = bbox.x; + rect.y.baseVal.value = bbox.y; + rect.width.baseVal.value = bbox.width; + rect.height.baseVal.value = bbox.height; + rect.setAttribute("class", className); + addItems.push({ parent: parent, target: rect }); + } + } + } else if (node.matches && !node.matches("button, select, textarea")) { + node.childNodes.forEach((el) => _highlight(el, addItems, text, className)); + } +}; +const _highlightText = (thisNode, text, className) => { + let addItems = []; + _highlight(thisNode, addItems, text, className); + addItems.forEach((obj) => + obj.parent.insertAdjacentElement("beforebegin", obj.target) + ); +}; + +/** + * Small JavaScript module for the documentation. + */ +const SphinxHighlight = { + + /** + * highlight the search words provided in localstorage in the text + */ + highlightSearchWords: () => { + if (!SPHINX_HIGHLIGHT_ENABLED) return; // bail if no highlight + + // get and clear terms from localstorage + const url = new URL(window.location); + const highlight = + localStorage.getItem("sphinx_highlight_terms") + || url.searchParams.get("highlight") + || ""; + localStorage.removeItem("sphinx_highlight_terms") + url.searchParams.delete("highlight"); + window.history.replaceState({}, "", url); + + // get individual terms from highlight string + const terms = highlight.toLowerCase().split(/\s+/).filter(x => x); + if (terms.length === 0) return; // nothing to do + + // There should never be more than one element matching "div.body" + const divBody = document.querySelectorAll("div.body"); + const body = divBody.length ? divBody[0] : document.querySelector("body"); + window.setTimeout(() => { + terms.forEach((term) => _highlightText(body, term, "highlighted")); + }, 10); + + const searchBox = document.getElementById("searchbox"); + if (searchBox === null) return; + searchBox.appendChild( + document + .createRange() + .createContextualFragment( + '

    " + ) + ); + }, + + /** + * helper function to hide the search marks again + */ + hideSearchWords: () => { + document + .querySelectorAll("#searchbox .highlight-link") + .forEach((el) => el.remove()); + document + .querySelectorAll("span.highlighted") + .forEach((el) => el.classList.remove("highlighted")); + localStorage.removeItem("sphinx_highlight_terms") + }, + + initEscapeListener: () => { + // only install a listener if it is really needed + if (!DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS) return; + + document.addEventListener("keydown", (event) => { + // bail for input elements + if (BLACKLISTED_KEY_CONTROL_ELEMENTS.has(document.activeElement.tagName)) return; + // bail with special keys + if (event.shiftKey || event.altKey || event.ctrlKey || event.metaKey) return; + if (DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS && (event.key === "Escape")) { + SphinxHighlight.hideSearchWords(); + event.preventDefault(); + } + }); + }, +}; + 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DSQSS/DLA による正方格子上ハードコアボソン系の粒子数計算 — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    3.4. DSQSS/DLA による正方格子上ハードコアボソン系の粒子数計算

    +

    このチュートリアルでは, 大きさ \(8\times8\) の正方格子上の, +\(V/t=3, \beta t = 10\) というパラメータを持つハードコアボーズハバード模型について, +化学ポテンシャル \(\mu\)\(-4.0\) から \(14.0\) まで動かして計算を行い, +粒子数密度の変化を計算します.

    +

    次に示すのは, 入力ファイルの生成と本計算を自動で行い, +粒子数密度の化学ポテンシャル依存性をファイルに書き出すスクリプトです(sample/dla/03_bosesquare/exec.py).

    +
    import subprocess
    +
    +from dsqss.dla_pre import dla_pre
    +from dsqss.result import Results
    +
    +V = 3
    +L = [8, 8]
    +beta = 10.0
    +
    +lattice = {"lattice": "hypercubic", "dim": 2, "L": L}
    +hamiltonian = {"model": "boson", "t": 1, "V": V, "M": 1}
    +parameter = {"beta": beta, "nset": 4, "ntherm": 100, "ndecor": 100,
    +             "nmcs": 100, "wvfile": "wv.xml", "dispfile": "disp.xml"}
    +
    +name = "amzu"
    +mus = [-4.0, -2.0, 0.0, 2.0, 2.5, 3.0, 6.0, 9.0, 9.5, 10.0, 12.0, 14.0]
    +
    +output = open("{}.dat".format(name), "w")
    +for i, mu in enumerate(mus):
    +    ofile = "res_{}.dat".format(i)
    +    pfile = "param_{}.in".format(i)
    +    sfoutfile = "sf_{}.dat".format(i)
    +    cfoutfile = "cf_{}.dat".format(i)
    +    ckoutfile = "ck_{}.dat".format(i)
    +
    +    hamiltonian["mu"] = mu
    +    parameter["outfile"] = ofile
    +    parameter["sfoutfile"] = sfoutfile
    +    parameter["cfoutfile"] = cfoutfile
    +    parameter["ckoutfile"] = ckoutfile
    +    dla_pre(
    +        {"parameter": parameter, "hamiltonian": hamiltonian, "lattice": lattice}, pfile
    +    )
    +    cmd = ["dla", pfile]
    +    subprocess.call(cmd)
    +    res = Results(ofile)
    +    output.write("{} {}\n".format(mu, res.to_str(name)))
    +output.close()
    +
    +
    +

    このPython スクリプトを実行すると

    +
    $ python exec.py
    +
    +
    +

    化学ポテンシャルごとに密度の期待値と統計誤差が amzu.dat に行ごとにスペース区切りで書き出されます. +このファイルをGnuplot などで図示すると(図 3.2). +\(\mu=6\) 付近では密度プラトーが観測されます. ここでは近接サイト間の反発によりチェッカーボード固体相になっています.

    +
    +2次元ボース系の密度プラトー +
    +

    図 3.2 正方格子上のボースハバード模型における密度の化学ポテンシャル依存性.

    +
    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/dla/tutorial/index.html b/manual/v2.0.5/jp/dla/tutorial/index.html new file mode 100644 index 00000000..f5cd3197 --- /dev/null +++ b/manual/v2.0.5/jp/dla/tutorial/index.html @@ -0,0 +1,137 @@ + + + + + + + + 3. DLAのチュートリアル — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + + + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/dla/tutorial/intro.html b/manual/v2.0.5/jp/dla/tutorial/intro.html new file mode 100644 index 00000000..a9aa95ad --- /dev/null +++ b/manual/v2.0.5/jp/dla/tutorial/intro.html @@ -0,0 +1,136 @@ + + + + + + + + 3.1. DSQSS/DLA とは — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    3.1. DSQSS/DLA とは

    +

    DSQSS/DLA は世界線モンテカルロ法の向き付きループアルゴリズムを実装したプログラムです. +負符号問題の現れない限り,任意の模型・任意の格子で磁化や帯磁率などの計算を行えます. +ハイゼンベルグスピン模型やボーズ・ハバード模型を表す入力ファイルを作るツールや +超立方格子・三角格子を表す入力ファイルを作るツールが付属しています.

    +

    本章では DSQSS/DLA のチュートリアルとしていくつかの系を計算します。 +環境設定のために, dsqssvars-VERSION.sh を読み込んでから実行してください +(VERSION はDSQSS のバージョン番号, 例えば 2.0.0 に読み替えてください).

    +
    $ source $DSQSS_INSTALL_DIR/share/dsqss/dsqssvars-VERSION.sh
    +
    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/dla/tutorial/spinchain.html b/manual/v2.0.5/jp/dla/tutorial/spinchain.html new file mode 100644 index 00000000..81cc3bb3 --- /dev/null +++ b/manual/v2.0.5/jp/dla/tutorial/spinchain.html @@ -0,0 +1,187 @@ + + + + + + + + 3.3. DSQSS/DLA によるスピン鎖の帯磁率計算 — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    3.3. DSQSS/DLA によるスピン鎖の帯磁率計算

    +

    このチュートリアルでは, 局在スピンの大きさが \(S=1/2, 1\) である2種類の +反強磁性ハイゼンベルグ鎖 (\(J=-1, L=30\)) において, +温度 \(T\)\(0.05\) から \(2.0\) まで動かしたときの +帯磁率変化を計算します.

    +

    次に示すのは, 温度やスピンの大きさを変えながら入力ファイルの生成と本計算を自動で行い, +帯磁率の温度依存性をファイルに書き出す Pythonスクリプトです(sample/dla/02_spinchain/exec.py).

    +
    import subprocess
    +
    +from dsqss.dla_pre import dla_pre
    +from dsqss.result import Results
    +
    +L = 30
    +
    +lattice = {"lattice": "hypercubic", "dim": 1, "L": L}
    +hamiltonian = {"model": "spin", "Jz": -1, "Jxy": -1}
    +parameter = {"nset": 5, "ntherm": 1000, "ndecor": 1000, "nmcs": 1000,
    +             "wvfile": "wv.xml", "dispfile": "disp.xml"}
    +
    +name = "xmzu"
    +Ms = [1, 2]
    +Ts = [0.05, 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0, 1.25, 1.5, 1.75, 2.0]
    +
    +for M in Ms:
    +    output = open("{0}_{1}.dat".format(name, M), "w")
    +    for i, T in enumerate(Ts):
    +        ofile = "res_{}_{}.dat".format(M, i)
    +        pfile = "param_{}_{}.in".format(M, i)
    +        sfoutfile = "sf_{}_{}.dat".format(M, i)
    +        cfoutfile = "cf_{}_{}.dat".format(M, i)
    +        ckoutfile = "ck_{}_{}.dat".format(M, i)
    +        hamiltonian["M"] = M
    +        parameter["beta"] = 1.0 / T
    +        parameter["outfile"] = ofile
    +        parameter["sfoutfile"] = sfoutfile
    +        parameter["cfoutfile"] = cfoutfile
    +        parameter["ckoutfile"] = ckoutfile
    +        dla_pre(
    +            {"parameter": parameter, "hamiltonian": hamiltonian, "lattice": lattice},
    +            pfile,
    +        )
    +        cmd = ["dla", "param_{0}_{1}.in".format(M, i)]
    +        subprocess.call(cmd)
    +        res = Results(ofile)
    +        output.write("{} {}\n".format(T, res.to_str(name)))
    +    output.close()
    +
    +
    +

    このPython スクリプトを実行すると

    +
    $ python exec.py
    +
    +
    +

    \(S=1/2\) の結果が xmzu_1.dat に, \(S=1\) の結果が xmzu_2.dat にそれぞれ書き出されます. +ファイルの各行には温度, 帯磁率の期待値, 帯磁率の統計誤差が順に書き出されます. +この2つのファイルをGnuplot などで図示すると(図 3.1), スピンの大きさによって, スピンギャップの有無が異なり, その結果として絶対零度付近での帯磁率の振る舞いが異なってくることがわかります.

    +
    +スピン鎖の帯磁率 +
    +

    図 3.1 反強磁性ハイゼンベルグスピン鎖の帯磁率の温度依存性. 青が \(S=1/2\) で 赤が \(S=1\) の結果.

    +
    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/dla/tutorial/spindimer.html b/manual/v2.0.5/jp/dla/tutorial/spindimer.html new file mode 100644 index 00000000..a9d3314e --- /dev/null +++ b/manual/v2.0.5/jp/dla/tutorial/spindimer.html @@ -0,0 +1,211 @@ + + + + + + + + 3.2. DSQSS/DLA による反強磁性ハイゼンベルグダイマーのエネルギー計算 — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    3.2. DSQSS/DLA による反強磁性ハイゼンベルグダイマーのエネルギー計算

    +

    このチュートリアルでは, \(S=1/2\) 反強磁性ハイゼンベルグダイマー \(\mathcal{H}= J \vec{S}_1 \cdot \vec{S}_2\) の基底状態エネルギー計算をすることで, +DSQSS/DLA の使い方を学びます.

    +

    DSQSS/DLA による計算は,

    +
      +
    1. 入力ファイルの準備

    2. +
    3. 計算の実行

    4. +
    5. 計算結果の解釈

    6. +
    +

    の3段階に分かれます.

    +
    +

    3.2.1. 入力ファイルの準備

    +

    DSQSS/DLA を実行するには,

    +
      +
    1. パラメータファイル

    2. +
    3. 格子定義ファイル

    4. +
    5. アルゴリズム定義ファイル

    6. +
    +

    の3つの入力ファイルが必要です. +そのため, まずはこれらの入力ファイルを作成します. +そのためのユーティリティツールが dla_pre です. +これは単一の入力ファイルから, DSQSS/DLA の入力ファイルを生成するPython スクリプトです. +まず, dla_pre.py の入力ファイルとして, 次の内容を持つテキストファイル std.toml を準備します(sample/dla/01_spindimer/std.toml).

    +
    [hamiltonian]
    +model = "spin"
    +M =  1                 # S=1/2
    +Jz = -1.0              # coupling constant, negative for AF
    +Jxy = -1.0             # coupling constant, negative for AF
    +h = 0.0                # magnetic field
    +[lattice]
    +lattice = "hypercubic" # hypercubic, periodic
    +dim = 1                # dimension
    +L = 2                  # number of sites along each direction
    +bc = false             # open boundary
    +[parameter]
    +beta = 100             # inverse temperature
    +nset = 5               # set of Monte Carlo sweeps
    +npre = 10              # MCSteps to estimate hyperparameter
    +ntherm = 10            # MCSweeps for thermalization
    +nmcs = 100             # MCSweeps for measurement
    +seed = 31415           # seed of RNG
    +
    +
    +

    このファイルを dla_pre.py に与えます.

    +
    $ dla_pre std.toml
    +
    +
    +

    この結果, パラメータファイル param.in, 格子定義ファイル lattice.xml, アルゴリズム定義ファイル algorithm.xml が生成されます。

    +
    +
    +

    3.2.2. 計算の実行

    +

    入力ファイルを作成したら, DSQSS/DLA による計算を実行します.

    +
    $ dla param.in
    +
    +
    +

    なお, 計算を実行するときにMPI を用いることで, 乱数並列計算が可能です.

    +
    $ mpiexec -np 4 dla param.in
    +
    +
    +

    乱数並列計算では並列数 (この例では4) だけ独立に計算が行われ, その分モンテカルロサンプル数が増えるために計算精度が向上します. [1]

    +
    +
    +

    3.2.3. 計算結果の解釈

    +

    計算結果は出力ファイル sample.log に書き出されます. +サイトあたりのエネルギーは ene という名前で記されており, たとえば grep コマンドで

    +
    $ grep ene sample.log
    +R ene = -3.74380000e-01 5.19493985e-03
    +
    +
    +

    と取得できます. +2つある数字はそれぞれ期待値と統計誤差です. +反強磁性ハイゼンベルグダイマーの基底状態でのサイトあたりエネルギーは \(-3|J|/8 = -0.375|J|\) なので, 問題なく計算されていることがわかります.

    +

    脚注

    + +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/dla/tutorial/standard_mode.html b/manual/v2.0.5/jp/dla/tutorial/standard_mode.html new file mode 100644 index 00000000..e70012d7 --- /dev/null +++ b/manual/v2.0.5/jp/dla/tutorial/standard_mode.html @@ -0,0 +1,303 @@ + + + + + + + + DSQSS/DLA のスタンダードモードによる反強磁性ハイゼンベルグダイマーの模型や格子の定義 — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    DSQSS/DLA のスタンダードモードによる反強磁性ハイゼンベルグダイマーの模型や格子の定義

    +

    このチュートリアルでは, \(S=1/2\) 反強磁性ハイゼンベルグダイマーに外部磁場が印加されている系 \(\mathcal{H}= \sum_{\langle i,j \rangle}-J_z S^z_i S^z_j -\frac{J_{xy}}{2}(S^+_i S^-_j +S^-_i S^+_j)-h\sum_i S^z_i ,~J_z<0, J_xy<0, h>0\) の格子の概形を計算をすることで, +DSQSS/DLA のスタンダードモード使い方を学びます.

    +

    DSQSS/DLA のスタンダードモードによる計算は,

    +
      +
    1. シンプルモードの入力ファイルの準備

    2. +
    3. スタンダードモードの入力ファイルの作成

    4. +
    5. 計算の実行

    6. +
    +

    の3段階に分かれます.

    +
    +

    シンプルモードの入力ファイルの準備

    +

    DSQSS/DLA を実行するには,

    +
      +
    1. ハミルトニアンの情報

    2. +
    3. 格子の情報

    4. +
    5. 逆温度やモンテカルロステップ数などのパラメータの情報

    6. +
    +

    を指定したTOML形式のシンプルモードファイル std.tomlが必要です. +そのため, まずはこの入力ファイルを準備します. +反強磁性ハイゼンベルグダイマーのファイルは以下の場所に用意されています +(sample/dla/01_spindimer/std.toml)

    +
    [hamiltonian]
    +model = "spin"
    +M =  1                 # S=1/2
    +Jz = -1.0              # coupling constant, negative for AF
    +Jxy = -1.0             # coupling constant, negative for AF
    +h = 0.0                # magnetic field
    +[lattice]
    +lattice = "hypercubic" # hypercubic, periodic
    +dim = 1                # dimension
    +L = 2                  # number of sites along each direction
    +bc = false             # open boundary
    +[parameter]
    +beta = 100             # inverse temperature
    +nset = 5               # set of Monte Carlo sweeps
    +npre = 10              # MCSteps to estimate hyperparameter
    +ntherm = 10            # MCSweeps for thermalization
    +nmcs = 100             # MCSweeps for measurement
    +seed = 31415           # seed of RNG
    +
    +
    +

    このファイルにz方向の外部磁場の印加の効果を付け加え, 格子の次元とサイトの数をそれぞれ2と4にします

    +
    [hamiltonian]
    +model = "spin"
    +M =  1                 # S=1/2
    +Jz = -1.0              # coupling constant, negative for AF
    +Jxy = -1.0             # coupling constant, negative for AF
    +h = 0.5                # magnetic field
    +[lattice]
    +lattice = "hypercubic" # hypercubic, periodic
    +dim = 2                # dimension
    +L = 4                  # number of sites along each direction
    +bc = false             # open boundary
    +[parameter]
    +beta = 100             # inverse temperature
    +nset = 5               # set of Monte Carlo sweeps
    +npre = 10              # MCSteps to estimate hyperparameter
    +ntherm = 10            # MCSweeps for thermalization
    +nmcs = 100             # MCSweeps for measurement
    +seed = 31415           # seed of RNG
    +
    +
    +
    +
    +

    スタンダードモードの入力ファイルの作成

    +

    このファイルを dla_hamgen に与えます.

    +
    $ dla_hamgen std.toml
    +
    +
    +

    この結果, サイトハミルトニアンや多体相互作用の情報を記述するTOML形式のテキストファイル hamiltonian.toml が生成されます.

    +

    次に, std.toml を dla_latgen に与えます.

    +
    $ dla_latgen -t lattice.toml std.toml
    +
    +
    +

    この結果, ユニットセルと基本並進ベクトルを用いて空間の情報を記述するTOML形式のテキストファイルlattice.toml が生成されます.

    +
    +
    +

    計算の実行

    +

    lattice.toml を入力ファイルとして, gnuplotファイル lattice.pltを作成できます::

    +
    $ dla_latgen -g lattice.plt lattice.toml
    +
    +
    +

    lattce.plt を gnuplot に与えると2次元の格子の概形が得られます:

    +
    .. figure:: ../../../image/dla/tutorial/2Dlattice.png
    +
    +
    +
    +
    +
    name:
    +

    fig_2Dlattice

    +
    +
    alt:
    +

    2次元格子

    +
    +
    +

    z方向の外部磁場中の反強磁性ハイゼンベルグスピン鎖の格子の概形.

    +
    +
    +
    +

    lattice.datとkpoints.datの作成

    +

    lattice.tomlファイルでは格子の情報をユニットセルと基本並進ベクトルを用いて定義しました。一方, lattice.datファイルは格子の情報をサイトの数やサイト間の相互作用を用いて定義します。lattice.datもTOML形式のシンプルモードファイル std.tomlを用いて作成できます。 +上で用いたz方向の外部磁場の印加の効果が入っているstd.tomlを dla_latgen に与えます.

    +
    $ dla_latgen -o lattice.dat std.toml
    +
    +
    +

    この結果, 以下のようなlattice.datファイルが得られます

    +
    name
    +hypercubic
    +
    +lattice
    +2 # dim
    +4 4 # size
    +0 0 # 0:open boundary, 1:periodic boundary
    +0 1.0 0.0 # latvec_0
    +1 0.0 1.0 # latvec_1
    +
    +directions
    +2 # ndirections
    +# id, coords...
    +0 1.0 0.0
    +1 0.0 1.0
    +
    +sites
    +16 # nsites
    +# id, type, coord...
    +0 0 0.0 0.0
    +1 0 1.0 0.0
    +2 0 2.0 0.0
    +3 0 3.0 0.0
    +4 0 0.0 1.0
    +5 0 1.0 1.0
    +6 0 2.0 1.0
    +7 0 3.0 1.0
    +8 0 0.0 2.0
    +9 0 1.0 2.0
    +10 0 2.0 2.0
    +11 0 3.0 2.0
    +12 0 0.0 3.0
    +13 0 1.0 3.0
    +14 0 2.0 3.0
    +15 0 3.0 3.0
    +
    +interactions
    +24 # nints
    +# id, type, nbody, sites..., edge_flag, direction
    +0 0 2 0 1 0 0
    +1 0 2 0 4 0 1
    +2 1 2 1 2 0 0
    +3 2 2 1 5 0 1
    +4 3 2 2 3 0 0
    +5 2 2 2 6 0 1
    +6 0 2 3 7 0 1
    +7 2 2 4 5 0 0
    +8 1 2 4 8 0 1
    +9 4 2 5 6 0 0
    +10 4 2 5 9 0 1
    +11 5 2 6 7 0 0
    +12 4 2 6 10 0 1
    +13 1 2 7 11 0 1
    +14 2 2 8 9 0 0
    +15 3 2 8 12 0 1
    +16 4 2 9 10 0 0
    +17 5 2 9 13 0 1
    +18 5 2 10 11 0 0
    +19 5 2 10 14 0 1
    +20 3 2 11 15 0 1
    +21 0 2 12 13 0 0
    +22 1 2 13 14 0 0
    +23 3 2 14 15 0 0
    +
    +
    +

    次に, kpoints.datを作成します。kpoint.datは波数ベクトルを逆格子ベクトルで展開した際の係数を指定するテキストファイルです. -sを使うことでサイズを指定できます. dla_wvgen -s に std.tomlファイルを与えます:

    +
    $ dla_wvgen -s "8 8" std.toml
    +
    +
    +

    この結果, 以下の kpoints.datファイルが得られます

    +
    dim
    +2
    +
    +kpoints
    +4
    +0 0 0
    +1 0 4
    +2 4 0
    +3 4 4
    +
    +
    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/dla/users-manual/engine.html b/manual/v2.0.5/jp/dla/users-manual/engine.html new file mode 100644 index 00000000..97d7417d --- /dev/null +++ b/manual/v2.0.5/jp/dla/users-manual/engine.html @@ -0,0 +1,139 @@ + + + + + + + + 4.5. 向き付きループアルゴリズムソルバ dla — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    4.5. 向き付きループアルゴリズムソルバ dla

    +

    dla は向き付きループアルゴリズムを実装した量子モンテカルロプログラムです. +コマンドライン引数として入力ファイルをとります.

    +

    MPI 実行した場合, 指定したプロセスの数 \(N_\text{proc}\) だけ乱数並列を行います. +各プロセスは独立に, 入力ファイル中の NSET で指定したセット数だけモンテカルロ計算をします. +その結果, 合計のセット数が \(N_\text{proc}\) 倍され, 統計誤差は \(1/\sqrt{N_\text{proc}}\) 倍になることが期待されます.

    +

    実行例

    +
    $ dla param.in
    +$ mpiexec -np 4 dla param.in
    +
    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/dla/users-manual/generator.html b/manual/v2.0.5/jp/dla/users-manual/generator.html new file mode 100644 index 00000000..380fdd00 --- /dev/null +++ b/manual/v2.0.5/jp/dla/users-manual/generator.html @@ -0,0 +1,322 @@ + + + + + + + + 4.4. DLA の入力ファイル生成ツール — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    4.4. DLA の入力ファイル生成ツール

    +

    DLA は入力ファイルとして格子定義ファイル,アルゴリズム定義ファイル, +波数ベクトル定義ファイルを, それぞれXML 形式ファイルとして受け取ります. +これらをうまく定義することで, 計算機資源の許す範囲で任意の格子や模型を計算できますが, +手で定義するには複雑になっています. +そのため,超立方格子やハイゼンベルグ模型などのよく使われるような格子・模型については生成ツールが用意されています.

    +
    +

    4.4.1. シンプルモードツール dla_pre

    +

    dla_preシンプルモードファイル から DSQSS/DLA のエキスパートモード入力ファイル を生成するツールです.

    +
    $ dla_pre [-p paramfile] <inputfile>
    +
    +
    +

    パラメータは以下の通り.

    +
    +
    paramfile

    出力されるパラメータファイル名.デフォルトは param.in です.

    +
    +
    inputfile

    入力ファイル名. ファイル形式の詳細は シンプルモードファイル を参照してください.

    +
    +
    +

    格子XML ファイルなど, 出力される XML ファイルの名前はパラメータから自動生成されます.

    +
    +
    +

    4.4.2. 格子生成ツール dla_latgen

    +

    dla_latgenシンプルモードファイル から 格子データファイル格子TOML ファイル を生成するツールです.

    +
    $ dla_latgen [-o datafile] [-t TOML] [-g GNUPLOT] input
    +
    +
    +

    パラメータは以下の通り.

    +
    +
    datafile

    出力される格子データファイルの名前. デフォルトは lattice.dat です. +空文字列の場合, 格子データファイルは出力されません.

    +
    +
    TOML

    出力される格子TOMLファイルの名前. デフォルトは空文字列で, ファイルは出力されません.

    +
    +
    GNUPLOT

    出力される格子Gnuplotファイルの名前. デフォルトは空文字列で, ファイルは出力されません. +出力されたファイルを``gnuplot`` で load することで, 格子を可視化することができます.

    +
    +
    inputfile

    入力ファイル名. ファイル形式の詳細は lattice を参照してください.

    +
    +
    +

    実行すると datafile や TOML で指定した名前の格子定義ファイルが生成されます.

    +

    入力ファイル例

    +
    # 1次元鎖, 8 sites
    +[lattice]
    +lattice = "hypercubic"
    +dim = 1
    +L = 8
    +
    +
    +
    # 2次元正方格子, 4x4 sites
    +[lattice]
    +lattice = "hypercubic"
    +dim = 2
    +L = 4
    +
    +
    +
    # 2本脚 はしご格子, 8x2 sites
    +[lattice]
    +lattice = "hypercubic"
    +dim = 2
    +L = [8,2]
    +bc = [true, false]
    +
    +
    +
    +
    +

    4.4.3. ハミルトニアン生成ツール dla_hamgen

    +

    dla_hamgenシンプルモードファイル から ハミルトニアンTOMLファイル を生成するツールです.

    +
    $ dla_hamgen [-o filename] <inputfile>
    +
    +
    +

    パラメータは以下の通り.

    +
    +
    filename

    出力ファイル名.デフォルトは hamiltonian.toml です.

    +
    +
    inputfile

    入力ファイル名. ファイル形式は hamiltonian を参照してください.

    +
    +
    +

    実行すると filename で指定した名前を持つファイルが生成されます.

    +

    入力ファイル例

    +
    # S=1/2 AF Heisenberg model
    +[hamiltonian]
    +model = "spin"
    +M = 1
    +Jz = -1.0
    +Jxy = -1.0
    +
    +
    +
    # S=1 J1 AF J2 FM XY model under the field
    +[hamiltonian]
    +model = "spin"
    +M = 2
    +Jxy = [-1.0, 1.0]
    +h = 1.0
    +
    +
    +
    # hardcore boson
    +[hamiltonian]
    +model = "boson"
    +M = 1
    +t = 1.0
    +V = 1.0
    +
    +
    +
    # softcore boson (upto N=2)
    +[hamiltonian]
    +model = "boson"
    +M = 2
    +t = 1.0
    +U = 1.0
    +V = 1.0
    +mu = 1.0
    +
    +
    +
    +
    +

    4.4.4. パラメータファイル生成ツール dla_pgen

    +

    dla_pgenシンプルモードファイル から パラメータファイル を生成するツールです.

    +
    $ dla_pgen [-o filename] <inputfile>
    +
    +
    +

    パラメータは以下の通り.

    +
    +
    filename

    出力ファイル名.デフォルトは param.in です.

    +
    +
    inputfile

    入力ファイル名. ファイル形式は parameter を参照してください.

    +
    +
    +
    +
    +

    4.4.5. 波数ファイル生成ツール dla_wvgen

    +

    dla_wvgenシンプルモードファイル から 波数ファイル を生成するツールです.

    +
    $ dla_wvgen [-o filename] [-s size] <inputfile>
    +
    +
    +

    パラメータは以下の通り.

    +
    +
    filename

    出力ファイル名.デフォルトは kpoints.dat です.

    +
    +
    size

    格子サイズ. 数字を空白区切りで並べた文字列で指定します (e.g. -s "4 4" .) +指定しない場合は, 入力ファイルの [lattice] テーブルから読み取ります.

    +
    +
    inputfile

    入力ファイル名. ファイル形式は kpoints を参照してください.

    +
    +
    +

    実行すると filename で指定した名前の波数ファイルが生成されます.

    +
    +
    +

    4.4.6. アルゴリズム生成ツール dla_alg

    +

    dla_alg は +格子データファイル, 格子TOML ファイル, ハミルトニアンTOMLファイル, 波数ファイル から +格子XMLファイル, アルゴリズム定義ファイル, 波数ベクトルXMLファイル, 相対座標定義ファイル を生成するツールです.

    +
    $ dla_alg [-l LAT] [-h HAM] [-L LATXML] [-A ALGXML]
    +          [--without_lattice] [--without_algorithm] [-k KPOINT]
    +          [--wv WV] [--disp DISP] [--distance-only]
    +          [--kernel KERNEL]
    +
    +
    +

    パラメータは以下の通り.

    +
    +
    LAT

    読み込む格子 dat/TOML ファイル.省略した場合は lattice.dat が指定されます.

    +
    +
    HAM

    読み込むハミルトニアン TOML ファイル.省略した場合は hamiltonian.toml が指定されます.

    +
    +
    LATXML

    書き出される格子定義ファイル. 省略した場合は lattice.xml が指定されます.

    +
    +
    ALGXML

    書き出されるアルゴリズム定義ファイル.省略した場合は algorithm.xml が指定されます.

    +
    +
    without_lattice

    設定した場合, 格子定義ファイルは書き出されません. +なお, 格子ファイル LAT そのものは, アルゴリズムなどの導出に必要なために読み込まれます.

    +
    +
    without_algorithm

    設定した場合, アルゴリズム定義ファイルは書き出されません.

    +
    +
    KPOINT

    読み込む波数ファイル.省略した場合は波数ベクトルXML ファイルは出力されません.

    +
    +
    WV

    書き出される波数ベクトルXMLファイル. 省略した場合は wavevector.xml が指定されます.

    +
    +
    DISP

    書き出される相対座標定義ファイル. 省略した場合は相対座標XML ファイルは出力されません.

    +
    +
    --distance-only

    指定した場合, 変位定義において変位 \(\vec{r}_{ij}\) ではなくその絶対値 \(r_{ij}\) でグループ化します.

    +
    +
    KERNEL

    バーテックスにおけるワームヘッドの散乱確率の導出に使うアルゴリズム. 省略した場合, suwa todo が用いられます. +利用できるアルゴリズムは algorithm を参照してください.

    +
    +
    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/dla/users-manual/index.html b/manual/v2.0.5/jp/dla/users-manual/index.html new file mode 100644 index 00000000..be8ecde5 --- /dev/null +++ b/manual/v2.0.5/jp/dla/users-manual/index.html @@ -0,0 +1,169 @@ + + + + + + + + 4. DSQSS/DLAのユーザーマニュアル — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + +
    + + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/dla/users-manual/input_expert.html b/manual/v2.0.5/jp/dla/users-manual/input_expert.html new file mode 100644 index 00000000..21f77b9c --- /dev/null +++ b/manual/v2.0.5/jp/dla/users-manual/input_expert.html @@ -0,0 +1,649 @@ + + + + + + + + 4.3. DSQSS/DLA のエキスパートモード入力ファイル — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    4.3. DSQSS/DLA のエキスパートモード入力ファイル

    +

    DSQSS/DLA のエキスパートモード入力ファイルは, DSQSS/DLA の実行バイナリ dla が直接扱う入力ファイルです. +シンプルモードやスタンダードモードはこれらエキスパートモード入力ファイルを前処理として生成する工程です. +このファイルをユーザが直接生成, 編集する必要は, 普通はありません.

    +
    +

    4.3.1. 入力ファイル一覧

    + ++++ + + + + + + + + + + + + + + + + + +

    param.in

    モンテカルロの繰り返し回数など,計算制御のためのパラメータファイル.

    lattice.xml

    格子の定義ファイル.

    algorithm.xml

    アルゴリズム(ワームの散乱確率など)の定義ファイル.

    wavevetor.xml

    波数定義ファイル.

    disp.xml

    相対座標定義ファイル.

    +
    +
    +

    4.3.2. パラメータファイル

    +

    パラメータファイルは次に示すような書式のプレーンテキストファイルです.

    +
      +
    • 1行あたり1パラメータを, <name> = <value> という形式で表します.

    • +
    • ファイル名以外は大文字小文字を区別しません.

    • +
    • 空行,空白は無視されます.

    • +
    • "#" から行末まではコメントとして無視されます.

    • +
    +

    パラメータのリストと意味を以下に示します.

    + ++++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    パラメータ名

    デフォルト値

    説明

    beta

    double

    --

    逆温度.

    npre

    int

    1000

    モンテカルロスイープ中のワーム対生成回数を求める事前計算のためのモンテカルロ試行回数.

    ntherm

    int

    1000

    熱平衡化のためのモンテカルロスイープ数.

    ndecor

    int

    1000

    セット間の自己相関を取り除くためのモンテカルロスイープ数.

    nmcs

    int

    1000

    物理量計算のためのモンテカルロスイープ数.

    nset

    int

    10

    モンテカルロ計算の繰り返し数.

    simulationtime

    int

    0.0

    計算時間(単位は秒).

    seed

    int

    198212240

    疑似乱数の種.

    nvermax

    int

    100000

    最大バーテックス数.

    nsegmax

    int

    100000

    最大セグメント数.

    algfile

    int

    algorithm.xml

    アルゴリズム定義ファイル名.

    latfile

    string

    lattice.xml

    格子定義ファイル名.

    ntau

    int

    10

    虚時間構造因子などの計算で使われる虚時間方向の離散化数.

    wvfile

    string

    --

    波数ベクトルXMLファイル名. 空文字列の場合, 構造因子は計算されない.

    dispfile

    string

    --

    相対座標XMLファイル名. 空文字列の場合, 実空間表示温度グリーン関数は計算されない.

    outfile

    string

    sample.log

    メイン出力ファイル名.

    sfoutfile

    string

    sf.dat

    構造因子出力ファイル名.

    cfoutfile

    string

    cf.dat

    実空間表示温度グリーン関数出力ファイル名.

    ckoutfile

    string

    ck.dat

    波数空間表示温度グリーン関数出力ファイル名.

    +
      +
    • simulationtime について

      +
        +
      • simulationtime > 0.0 のとき

        +
          +
        • 指定秒数が経過するか, 計算が完了したとき, 途中経過をチェックポイントファイルに書き出した後, プログラムを終了します.

        • +
        • 計算開始時にチェックポイントファイルがある場合, そのファイルを読み込んだ後に計算を再開します.

        • +
        • チェックポイントファイルの名前は outfile で指定されるメイン出力ファイル名の末尾に .cjob をつけたものです.

        • +
        +
      • +
      • simulationtime <= 0.0 のとき

        +
          +
        • チェックポイントファイルは無視され, 書き出しも読み込みも行われません.

        • +
        +
      • +
      +
    • +
    +
    +
    +

    4.3.3. 格子XMLファイル

    +

    格子ファイルは空間の情報, たとえばサイトの数やサイト同士のつながりかたなどを定義するための, +XML ライクな形式で記述されるテキストファイルです. +これは一般に複雑になりますが, より単純な格子データファイルや格子TOML ファイルから +dla_alg を用いて生成することができます.

    +

    格子ファイルはただ一つの要素 Lattice を持ち, すべての情報は Lattice 要素の内容として含まれます.

    +
    +
    Lattice

    ファイル全体の要素. +ほかのすべての要素は Lattice のサブ要素です.

    +
    +
    Lattice/Comment

    省略可能. コメント文を示し, 計算には使用されません.

    +
    +
    Lattice/Dimension

    格子の次元.

    +
    +
    Lattice/LinearSize

    ユニットセルを単位とした, 各次元の格子の長さ. +内容として, スペース区切りの正整数を Lattice/Dimension で指定した数だけ並べたものをとります.

    +
    <LinearSize> 3 4 </LinearSize>
    +# ユニットセルが第1次元方向に3個, 第2次元方向に4個並んでいる場合
    +
    +
    +
    +
    Lattice/NumberOfSites

    サイトの総数. ユニットセルの総数と1セル内のサイト数の積.

    +
    +
    Lattice/NumberOfInteractions

    相互作用項の総数. 二体相互作用のみの場合は,いわゆる「ボンド数」.

    +
    +
    Lattice/NumberOfSiteTypes

    サイトの種類数.

    +
    +
    Lattice/NumberOfInteractionTypes

    相互作用の種類数.

    +
    +
    Lattice/NumberOfBondDirections

    ボンドの方向 Direction の数.

    +
    +
    Lattice/NumberOfEdgeInteractions

    格子の周期的境界をまたぐボンドの総数.

    +
    +
    Lattice/Basis

    格子の空間座標を記述する基底ベクトル.

    +
    +
    Lattice/S

    サイト情報. Lattice/NumberOfSites で指定したサイト数だけ指定する必要があります. +内容として, 「サイト番号」と「サイトタイプ」の2つの整数をスペース区切りで持ちます. +サイトタイプの詳細は別途アルゴリズム定義ファイルの中で定義します.

    +
    <S> 3 0 </S>
    +# サイト番号が3のサイトはサイトタイプが0である.
    +
    +
    +
    +
    Lattice/I

    相互作用情報. Lattice/NumberOfInteractions で指定した相互作用数だけ指定する必要があります. +内容として, 「相互作用番号」, 「相互作用タイプ」, 「相互作用サイト数」, 「相互作用サイト番号」を指定するために, +相互作用サイト数+3個の整数をスペース区切りで持ちます. +相互作用タイプの詳細 ― たとえば相互作用の大きさ ― は別途アルゴリズム定義ファイルの中で定義します. +サイト番号の順序は, アルゴリズム定義ファイルの Algorithm/Vertex/InitialConfiguration 要素で用いられるサイトの並び順と整合させる必要があります.

    +
    <I> 5 1 2 8 12 </I>
    +# 相互作用番号が5である相互作用は相互作用タイプが1で, 2つのサイトが関与し,
    +# それらのサイト番号は8と12である.
    +
    +
    +
    +
    Lattice/Direction

    ボンドの方向. Lattice/NumberOfBondDirections の値だけ指定する必要があります. +内容として, 「方向のインデックス」と「方向ベクトルの座標」をスペース区切りで指定します.

    +
    +
    +
    +
    +

    4.3.4. アルゴリズム定義ファイル

    +

    アルゴリズム定義ファイルは相互作用ごとのワームの散乱確率などを定義する, +XML ライクな形式で記述されるテキストファイルです. +これは一般に複雑になりえるので, より簡単なハミルトニアン定義ファイルから自動生成するためのツール dla_alg が用意されています.

    +

    アルゴリズム定義ファイルはただ一つの要素 Algorithm を持ち, すべての情報は Algorithm 要素の内容として含まれます.

    +
    +
    Algorithm

    ファイル全体の要素名.サブ要素として, General, Site, Interaction, Vertex があります. +ワームの生成・消滅・散乱の仕方を定義します.

    +
    +
    Algorithm/Comment

    省略可能. コメント文を示し, 計算には使用されません.

    +
    +
    Algorithm/General

    サブ要素として, NSType, NIType, NVType, NXMax, WDiag があります. +サイトの種類数や相互作用の種類数など, アルゴリズム定義の基本パラメータを設定します.

    +
    <Algorithm>
    +  <General>
    +    <NSType>  1 </NSType>
    +    <NIType>  1 </NIType>
    +    <NVType>  2 </NVType>
    +    <NXMax>   2 </NXMax>
    +    <WDiag>   0.25 </WDiag>
    +  </General>
    +  ...
    +</Algorithm>
    +
    +
    +
    +
    Algorithm/General/NSType

    異なるサイト型の個数を指定する整数値.

    +
    +
    Algorithm/General/NIType

    異なる相互作用型の個数を指定する整数値.

    +
    +
    Algorithm/General/NVType

    異なるバーテックス型の個数を指定する整数値.

    +
    +
    Algorithm/General/NXMax

    各サイトが取りうる状態の数の最大値. +例えば大きさ \(S\) のスピン系ならば \(2S+1\) .

    +
    +
    Algorithm/General/WDiag

    ワームの行程長から相関関数を求めるときの比例係数.

    +
    +
    Algorithm/Site

    1つのサイト型を定義します.具体的には, そのサイト型をもつサイトに対する操作を定義します. +サイトにワームを生成消滅する過程もここで定義します. +サブ要素として, SType, NumberOfStates, LocalStates, VertexTypeOfSource, InitialConfiguration があります.

    +
    <Algorithm>
    +  ...
    +  <Site>
    +    <STYPE> 0 </STYPE>
    +    <NumberOfStates> 2 </NumberOfStates>
    +    <LocalStates> -0.5 0.5 </LocalStates>
    +    <VertexTypeOfSource> 0 </VertexTypeOfSource>
    +    <InitialConfiguration>
    +       ...
    +    </InitialConfiguration>
    +    <InitialConfiguration>
    +       ...
    +    </InitialConfiguration>
    +  </Site>
    +  ...
    +</Algorithm>
    +
    +
    +
    +
    Algorithm/Site/SType

    定義されるサイト型の識別番号.

    +
    +
    Algorithm/Site/NumberOfStates

    サイトが取りうる状態の数.

    +
    +
    Algorithm/Site/LocalStates

    状態のインデックスに対応する局所変数の値を空白区切りで指定したもの. +例えば局所基底がスピンのz 成分ではられる場合, z 成分の大きさ.

    +
    +
    Algorithm/Site/VertexTypeOfSource

    挿入される可能性のあるバーテックスのタイプ.

    +
    +
    Algorithm/Site/InitialConfiguration

    初期条件の定義. 初期条件ごとのワーム対の生成消滅過程を定義もこの要素のなかで行われます. +サブ要素として, State, NumberOfChannels, Channel があります.

    +
    <Algorithm>
    +  ...
    +  <Site>
    +    ...
    +    <InitialConfiguration>
    +      <State> 0 </State>
    +      <NumberOfChannels> 2 </NumberOfChannels>
    +      <Channel> 0 1 0.5 </Channel>
    +      <Channel> 1 1 0.5 </Channel>
    +    </InitialConfiguration>
    +    ...
    +  </Site>
    +  ...
    +</Algorithm>
    +
    +
    +
    +
    Algorithm/Site/InitialConfiguration/State

    ワーム対が生成される前(もしくは消滅後)のサイトの状態.

    +
    +
    Algorithm/Site/InitialConfiguration/NumberOfChannels

    可能性のある終状態(チャネル)の数.

    +
    +
    Algorithm/Site/InitialConfiguration/Channel

    各チャネルの定義. 整数値, 整数値, 浮動小数点値の3つの並びで指定.

    +
      +
    • 第1の値はワーム生成後のヘッドの向き(0は虚時間方向負の向き, 1は正の向き.).

    • +
    • 第2の値はワーム生成後のヘッドとテールの間の状態.

    • +
    • 第3の値はそのような終状態をとる確率.

    • +
    +

    終状態としてワーム対を生成しない場合は, その Channel の 第1と第2の整数値はともに -1とする.

    +
    +
    Algorithm/Interaction

    1つの相互作用型を定義します. +サブ要素として IType, VType, NBody, EBase, VertexDensity, Sign があります.

    +
    <Algorithm>
    +  ...
    +  <Interaction>
    +    <IType> 0 </IType>
    +    <VType> 1 </VType>
    +    <NBody> 2 </NBody>
    +    <EBase> 0.125 </EBase>
    +    <VertexDensity> 0 0 0.25 </VertexDensity>
    +    <VertexDensity> 1 1 0.25 </VertexDensity>
    +    <Sign> 0 1 1 0 -1.0 </Sign>
    +    <Sign> 1 0 0 1 -1.0 </Sign>
    +  </Interaction>
    +  ...
    +</Algorithm>
    +
    +
    +
    +
    Algorithm/Interaction/IType

    相互作用の型の識別番号.

    +
    +
    Algorithm/Interaction/VType

    挿入する可能性のあるバーテックスの型の識別番号. バーテックス型の内容は Vertex/Algorithm で定義します.

    +
    +
    Algorithm/Interaction/NBody

    相互作用に関与するサイトの数(ゼーマン項のような1体相互作用であれば1 で, 交換相互作用のような2体相互作用であれば2. 3以上を指定することも可能).

    +
    +
    Algorithm/Interaction/EBase

    エネルギーオフセットの値. シミュレーション自体には影響しませんが, 最終的なエネルギーの値を出すときに使用されます.

    +
    +
    Algorithm/Interaction/VertexDensity

    関与するサイトの状態ごとに挿入するバーテックスの密度を指定します. +Algorithm/Interaction/NBody 個の整数値と, 1個の浮動小数点値の並びで指定. +整数値は, 関与する各サイトの状態(順序は格子定義ファイルの I で指定するサイト番号の順序と対応します). +浮動小数点値は密度.

    +
    +
    Algorithm/Interaction/Sign

    その相互作用における局所重みの符号, すなわち \(\textrm{Sgn}(\langle f | -\mathcal{H} | i \rangle)\) を指定します. +\(2\times\) Algorithm/Interaction/NBody 個の整数値と, 1個の浮動小数点値の並びで指定. +整数値は, 関与する各サイトのそれぞれについて, 相互作用演算子が適用される前と後の状態で, +浮動小数点値は重みの符号.

    +

    例えば, <Sign> 0 1 1 0 -1.0 </Sign>\(\langle 1 0 | \left(-\mathcal{H}\right) | 0 1 \rangle < 0\) を意味します.

    +
    +
    Algorithm/Vertex

    1つのバーテックスの型を定義します. バーテックスとしては, 通常の2体, 3体, ……の相互作用を記述するもの( VCategory=2 )と, +ワームヘッドがテールと消滅する場合のテール( VCategory=1 )があります. +Algorithm/Interaction の要素になりえるのは, 前者です. +(このほか, 時間方向の周期境界( VCategory=0 )も1体のバーテックスとして扱っていますが, これをユーザが定義する必要はありません.) +サブ要素として VType, VCategory, NBody, NumberOfInitialConfigurations, InitialConfiguration があります.

    +
    <Algorithm>
    +  ...
    +  <Vertex>
    +    <VTYPE> 0 </VTYPE>
    +    <VCATEGORY> 1 </VCATEGORY>
    +    <NBODY> 1 </NBODY>
    +    <NumberOfInitialConfigurations> 4 </NumberOfInitialConfigurations>
    +    <InitialConfiguration>
    +      ...
    +    </InitialConfiguration>
    +    ...
    +    <InitialConfiguration>
    +      ...
    +    </InitialConfiguration>
    +  </Vertex>
    +  ...
    +</Algorithm>
    +
    +
    +
    +
    Algorithm/Vertex/VType

    バーテックス型の識別番号. バーテックス型の定義ごとに異なる番号である必要があります.

    +
    +
    Algorithm/Vertex/VCategory

    1がワームテール, 2が相互作用.

    +
    +
    Algorithm/Vertex/NBody

    相互作用に関与するサイトの個数. +テールの場合には1.

    +
    +
    Algorithm/Vertex/NumberOfInitialConfigurations

    バーテックスの可能な初期状態数.

    +
    +
    Algorithm/Vertex/InitialConfiguration

    特定のバーテックス初期状態に対するワームの可能なアクションを定義します. +従って, この要素は, Algorithm/Vertex/NumberOfInitialConfigurations の値と同じ数だけ存在する必要があります. +サブ要素として, State, IncomingDirection, NewState, NumberOfChannels, Channel があります.

    +
    <Algorithm>
    +  ...
    +  <Vertex>
    +    ...
    +    <InitialConfiguration>
    +      <State>  1 0 0 1 </State>
    +      <IncomingDirection> 0 </IncomingDirection>
    +      <NewState> 0 </NewState>
    +      <NumberOfChannels> 1 </NumberOfChannels>
    +      <Channel>    3    0       1.0000000000000000 </Channel>
    +    </InitialConfiguration>
    +    ...
    +  </Vertex>
    +  ...
    +</Algorithm>
    +
    +
    +

    この例で定義されているのは, 「バーテックスの左下(0), 左上(1), 右下(2), 右上(3)の脚の状態がそれぞれ1, 0, 0, 1 であって, そこに, 左下(脚0の方向)から, その脚の状態を 0 に変化させるような ワームヘッドが入射した場合」のアクションであり, +その内容は, 「確率1で, そのワームヘッドを 脚3の方向に散乱させて, その方向の足の状態を 0 に変更する」ことを表しています. (つまり, この散乱が起こった場合, 散乱後のバーテックスの状態は 0, 0, 0, 0 になる.)

    +
    +
    Algorithm/Vertex/InitialConfiguration/State

    ワームヘッドが入ってくる前のバーテックスの初期状態を指定します. +具体的にはバーテックスの各脚の状態を指定します. +足の本数は, Algorithm/Vertex/NBody で指定される数 (=m) の2倍なので, 2m 個数の整数値をスペースで区切ったものを入力します. +その順序として, 脚は対応するサイトの順序に並べられ, +同じサイトに対応する2本の脚については, 虚数時間の小さい側が先に来ます. +(サイトの並び順は任意でよいが, 格子定義ファイルの Lattice/I 要素で 指定されているサイトの並び順はここで用いられたサイトの順序と整合している必要があります.) +各整数はバーテックスの足の状態を示す 0 から n-1 までの値. (ここで, n は対応するサイトの, Algorithm/Site/NumberOfStates で指定される値.)

    +
    +
    Algorithm/Vertex/InitialConfiguration/IncomingDirection

    入射するワームヘッドが入射前に乗っている脚の番号. +対応する足が Algorithm/Vertex/InitialConfiguration/State の記述において何番目に出てくるかを 0 から 2m-1 の整数値で指定.

    +
    +
    Algorithm/Vertex/InitialConfiguration/NewState

    ワームヘッドが通過したあとの Algorithm/Vertex/InitialConfiguration/IncomingDirection の足の状態. 0 から n-1 の整数値で指定.

    +
    +
    Algorithm/Vertex/InitialConfiguration/NumberOfChannels

    可能な散乱チャネルの個数.

    +
    +
    Algorithm/Vertex/InitialConfiguration/Channel

    散乱チャネルの定義. +Algorithm/Vertex/InitialConfiguration/NumberOfChannels の個数だけこの要素を用意する必要があります. +2つの整数値と1つの浮動小数点値をスペースで区切ったもので指定.

    +
      +
    • 第1の整数値は, 散乱後のワームヘッドが乗っている足の番号を 0 から 2m-1 の値で指定したもの.

    • +
    • 第2の整数値は, ワームヘッドが飛び去ったあとのその足の状態を 0 から n-1 の値で指定したもの.

    • +
    • 第3の浮動小数点値は, そのチャネルを選ぶ確率.

    • +
    +

    特別な場合として, ワームヘッドがテールに衝突して消滅する場合があり, この場合は 第1引数と第2引数に -1 を指定します.

    +
    +
    +
    +
    +

    4.3.5. 波数ベクトルXMLファイル

    +

    波数ベクトルXMLファイルは, スタッガード秩序変数

    +
    +\[M^{z}(\vec{k}) \equiv \frac{1}{N} \sum_i e^{-i\vec{k}\cdot\vec{r}_i} \left\langle M^{z}_i \right\rangle\]
    +

    や動的構造因子

    +
    +\[S^{zz}(\vec{k},\tau) \equiv + \left\langle M^z(\vec{k},\tau)M^z(-\vec{k},0) \right\rangle - \left\langle M^z(\vec{k},\tau)\right\rangle \left\langle M^z(-\vec{k},0)\right\rangle ,\]
    +

    波数表示温度グリーン関数

    +
    +\[G(\vec{k},\tau) \equiv \left\langle M^+(\vec{k}, \tau) M^-(-\vec{k},0) \right\rangle\]
    +

    を計算するための波数の情報がXML ライクな形式で記述されるテキストファイルです. +波数ベクトルデータファイルから dla_alg を用いて生成可能です.

    +

    波数ベクトルXMLファイルはただ一つの要素 WaveVector を持ち, すべての情報は WaveVector 要素の内容として含まれます.

    +
    +
    WaveVector

    ファイル全体の要素名. +サブ要素として, Comment, NumberOfSites, NumberOfWaveVectors, RK があります.

    +
    +
    WaveVector/Comment

    省略可能. +コメント文を示し, 計算には使用されません.

    +
    +
    WaveVector/NumberOfSites

    系のサイト数.

    +
    +
    WaveVector/NumberOfWaveVectors

    波数 \(\vec{k}\) の数.

    +
    +
    WaveVector/RK

    内積 \(\vec{r}\cdot\vec{k}\) の情報. +NumberOfSites と NumberOfWaveVectors の積だけ指定する必要があります. +内容として, +「 \(\cos(\theta)\) の値」, +「 \(\sin(\theta)\) の値」, +「サイト番号」, +「波数番号」 の4つの数字をスペース区切りで持ちます. +ここで \(\theta\) はサイト番号で示されるサイトの座標 \(\vec{r}\) と波数番号で示される波数 \(\vec{k}\) との内積です.

    +
    +
    +
    +
    +

    4.3.6. 相対座標定義ファイル

    +

    相対座標定義ファイルは,実空間表示温度グリーン関数

    +
    +\[G(\vec{r}_{ij},\tau) \equiv \left\langle M_i^+(\tau) M_j^- \right\rangle\]
    +

    を計算するための相対座標 \(\vec{r}_{ij}\) の情報がXML ライクな形式で記述されるテキストファイルです. +dla_alg を用いて生成可能です.

    +

    格子ファイルはただ一つの要素 Displacements を持ち, すべての情報は Displacements 要素の内容として含まれます.

    +
    +
    Displacements

    ファイル全体の要素名.サブ要素として, Comment, NumberOfKinds, NumberOfSites, R があります.

    +
    +
    Displacements/Comment

    省略可能. +コメント文を示し, 計算には使用されません.

    +
    +
    Displacements/NumberOfSites

    系のサイト数.

    +
    +
    Displacements/NumberOfKinds

    取りうる相対座標の数.

    +
    +
    Displacements/R

    内容として, +「相対座標のインデックス」, 「サイト i のインデックス」, 「サイト j のインデックス」 の3つの整数をスペース区切りで持ちます.

    +
    +
    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/dla/users-manual/input_simple.html b/manual/v2.0.5/jp/dla/users-manual/input_simple.html new file mode 100644 index 00000000..83129b2d --- /dev/null +++ b/manual/v2.0.5/jp/dla/users-manual/input_simple.html @@ -0,0 +1,529 @@ + + + + + + + + 4.1. DSQSS/DLA のシンプルモード — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    4.1. DSQSS/DLA のシンプルモード

    +

    シンプルモードは DSQSS/DLA において最も簡便な計算モードです. +シンプルモードでは, DSQSS/DLA であらかじめ定義されている模型, 格子による計算を, ひとつの入力ファイル(シンプルモードファイル)から行うことができます. +図 4.1 はシンプルモードによる計算の流れ図です.

    +
    +DSQSS/DLA のシンプルモード. +
    +

    図 4.1 DSQSS/DLA のシンプルモード. 丸囲みがファイルを, 四角囲みがツールを表す.

    +
    +
    +
    +

    4.1.1. シンプルモードファイル

    +

    シンプルモードファイルは TOML 形式のテキストファイルです. +dla_predla_hamgen などのツールの入力ファイルとして使います.

    +
    +

    4.1.1.1. parameter

    +

    逆温度やモンテカルロステップ数などの計算条件を指定するテーブルです. +dla_pre で使用されます.

    +

    parameter テーブルに属するキーのリストと意味を次に示します.

    + ++++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    パラメータ名

    デフォルト値

    説明

    beta

    double

    --

    逆温度.

    npre

    int

    1000

    モンテカルロスイープ中のワーム対生成回数を求める事前計算のためのモンテカルロ試行回数.

    ntherm

    int

    1000

    熱平衡化のためのモンテカルロスイープ数.

    ndecor

    int

    1000

    セット間の自己相関を取り除くためのモンテカルロスイープ数.

    nmcs

    int

    1000

    物理量計算のためのモンテカルロスイープ数.

    nset

    int

    10

    モンテカルロ計算の繰り返し数.

    simulationtime

    int

    0.0

    計算時間(単位は秒).

    seed

    int

    198212240

    疑似乱数の種.

    nvermax

    int

    10000

    最大バーテックス数.

    nsegmax

    int

    10000

    最大セグメント数.

    algfile

    int

    algorithm.xml

    アルゴリズム定義ファイル名.

    latfile

    string

    lattice.xml

    格子定義ファイル名.

    ntau

    int

    10

    虚時間構造因子などの計算で使われる虚時間方向の離散化数.

    wvfile

    string

    --

    波数ベクトルXMLファイル名. 空文字列の場合, 構造因子は計算されない.

    dispfile

    string

    --

    相対座標XMLファイル名. 空文字列の場合, 実空間表示温度グリーン関数は計算されない.

    outfile

    string

    sample.log

    メイン出力ファイル名.

    sfoutfile

    string

    sf.dat

    構造因子出力ファイル名.

    cfoutfile

    string

    cf.dat

    実空間表示温度グリーン関数出力ファイル名.

    ckoutfile

    string

    ck.dat

    波数空間表示温度グリーン関数出力ファイル名.

    +
      +
    • simulationtime について

      +
        +
      • simulationtime > 0.0 のとき

        +
          +
        • 指定秒数が経過するか, 計算が完了したとき, 途中経過をチェックポイントファイルに書き出した後, プログラムを終了します.

        • +
        • 計算開始時にチェックポイントファイルがある場合, そのファイルを読み込んだ後に計算を再開します.

        • +
        • チェックポイントファイルの名前は outfile で指定されるメイン出力ファイル名の末尾に .cjob をつけたものです.

        • +
        +
      • +
      • simulationtime <= 0.0 のとき

        +
          +
        • チェックポイントファイルは無視され, 書き出しも読み込みも行われません.

        • +
        +
      • +
      +
    • +
    +
    +
    +

    4.1.1.2. lattice

    +

    格子の情報を指定するテーブルです. dla_pre, dla_latgen で使用されます.

    +

    lattice テーブルに属するキーのリストと意味を次に示します.

    + ++++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    パラメータ名

    デフォルト値

    説明

    lattice

    string

    --

    格子の種類.

    dim

    int

    --

    空間次元.

    L

    list(int) or int

    --

    格子の大きさ. 整数の配列か整数で指定します. 空間次元より要素が少ない場合, 足りない要素は最後の要素で自動的に埋められます.

    bc

    list(bool) or bool

    true

    各次元に対する, 格子の境界条件. ブール値の配列かブール値で指定します. true が周期的境界条件を, false が開境界条件を示します.

    +

    現在利用可能な格子は次のとおりです.

    +
    +
    hypercubic

    d次元超立方格子.

    +
    +
    triangular

    2次元三角格子.

    +
    +
    honeycomb

    2次元蜂の巣格子.

    +
    +
    kagome

    2次元カゴメ格子.

    +
    +
    +
    +
    +

    4.1.1.3. hamiltonian

    +

    ハミルトニアンの情報を指定するテーブルです. +dla_pre, dla_hamgen で使用されます.

    +

    hamiltonian テーブルに属するキーのリストと意味を次に示します.

    + ++++++ + + + + + + + + + + + + + + + + + + + +

    パラメータ名

    デフォルト値

    説明

    model

    string

    --

    模型の種類. XXZ 模型 `spin' とボーズハバード模型 `boson' が利用可能です.

    M

    int

    1

    サイトあたりの取りうる状態数-1. XXZ 模型では局所スピンの大きさ \(2S\) を, ボーズハバード模型では粒子数カットオフを指定します.

    +

    XXZ 模型

    +
    +\[\mathcal{H} = \sum_{\langle i, j \rangle} -J_z S_i^z S_j^z -\frac{J_{xy}}{2} \left( S_i^+ S_j^- + S_i^- S_j^+ \right) ++ D \sum_i \left(S_i^z\right)^2 +- h \sum_i S_i^z\]
    +

    に特有のパラメータは次の通り.

    + ++++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    パラメータ名

    デフォルト値

    説明

    Jz

    list(float) or float

    0.0

    交換相互作用. 相互作用の種類が複数ある場合は, 配列で指定する. 正が強磁性的相互作用を, 負が反強磁性的相互作用を意味する.

    Jxy

    list(float) or float

    0.0

    交換相互作用. 相互作用の種類が複数ある場合は, 配列で指定する. 正が強磁性的相互作用を, 負が反強磁性的相互作用を意味する.

    D

    list(float) or float

    0.0

    オンサイトのスピン異方性パラメータ. サイトの種類が複数ある場合は, 配列で指定する.

    h

    list(float) or float

    0.0

    磁場. サイトの種類が複数ある場合は, 配列で指定する.

    +

    ボーズハバード 模型

    +
    +\[\mathcal{H} = \sum_{\langle i, j \rangle} \left[ -t b_i^\dagger b_j + h.c. + V n_i n_j \right] + \sum_i \left[ \frac{U}{2} n_i(n_i-1) - \mu n_i \right]\]
    +

    に特有のパラメータは次の通り.

    + ++++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    パラメータ名

    デフォルト値

    説明

    t

    list(float) or float

    0.0

    ホッピングパラメータ. 相互作用の種類が複数ある場合は, 配列で指定する.

    V

    list(float) or float

    0.0

    オフサイトの粒子間相互作用. 相互作用の種類が複数ある場合は, 配列で指定する. 正が斥力ポテンシャル, 負が引力ポテンシャルを意味する.

    U

    list(float) or float

    0.0

    オンサイトの粒子間相互作用. サイトの種類が複数ある場合は, 配列で指定する. 正が斥力ポテンシャル, 負が引力ポテンシャルを意味する.

    mu

    list(float) or float

    0.0

    化学ポテンシャル. サイトの種類が複数ある場合は, 配列で指定する.

    +
    +
    +

    4.1.1.4. kpoints

    +

    波数の情報を指定するテーブルです. +dla_pre および dla_wvgen で使用されます.

    + ++++++ + + + + + + + + + + + + + + +

    パラメータ名

    デフォルト値

    説明

    ksteps

    list(int) or int

    0

    波数の増分. 0 の場合, 格子サイズの半分が設定される.

    +

    たとえば ksteps = [1,2] で格子のサイズが L = [4,4] のとき, +波数点 \(\vec{k} = k_x \vec{g}_y + k_y \vec{g}_y\) として \((k_x,k_y) = (0,0), (1,0), (2,0), (0,2), (1,2), (2,2)\) が生成されます. +ここで \(\vec{g}\) は基本逆格子ベクトルです.

    +
    +
    +

    4.1.1.5. algorithm

    +

    ワームの散乱確率の計算アルゴリズムなどを指定するテーブルです. +dla_pre で使用されます.

    + ++++++ + + + + + + + + + + + + + + +

    パラメータ名

    デフォルト値

    説明

    kernel

    string

    'suwa todo'

    バーテックスにおけるワームの散乱過程について, その遷移確率を計算するために用いる手法.

    +

    kernel として指定できる手法は次の通り.

    +
    +
    suwa todo

    詳細釣り合いを破る諏訪・藤堂アルゴリズム +(H. Suwa and S. Todo, PRL 105, 120603 (2010).)

    +
    +
    reversible suwa todo

    詳細釣り合いを満たす諏訪・藤堂アルゴリズム +(H. Suwa and S. Todo, arXiv:1106.3562.)

    +
    +
    heat bath

    熱浴法.

    +
    +
    metropolis

    メトロポリスアルゴリズム.

    +
    +
    +
    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/dla/users-manual/input_standard.html b/manual/v2.0.5/jp/dla/users-manual/input_standard.html new file mode 100644 index 00000000..834e66e7 --- /dev/null +++ b/manual/v2.0.5/jp/dla/users-manual/input_standard.html @@ -0,0 +1,658 @@ + + + + + + + + 4.2. DSQSS/DLA のスタンダードモード — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    4.2. DSQSS/DLA のスタンダードモード

    +

    DSQSS/DLA のスタンダードモードでは, ユーザが模型や格子を定義して計算することができます. +あらかじめ定義された模型や格子と組み合わせたり, 拡張することも可能です. +図 4.1 はスタンダードモードによる計算の流れ図です.

    +
    +DSQSS/DLA のスタンダードモード. +
    +

    図 4.2 DSQSS/DLA のスタンダードモード. 丸囲みがファイルを, 四角囲みがツールを表す.

    +
    +
    +
    +

    4.2.1. 入力ファイル一覧

    + ++++ + + + + + + + + + + + + + + +

    lattice.dat

    格子datファイル.

    lattice.toml

    格子TOMLファイル. 格子ファイルはどちらか一方があればよい.

    hamiltonian.toml

    ハミルトニアンTOMLファイル.

    kpoints.dat

    波数ファイル.

    +
    +
    +

    4.2.2. 格子データファイル

    +

    格子データファイルは空間の情報, たとえばサイトの数やサイト同士のつながりかたなどを定義するためのテキストファイルです. +dla_alg の入力ファイルとして扱われます.

    +

    # から行末まではコメントとして読み飛ばされます. また, 空白行も飛ばされます. +name, lattice, directions, sites, interactions の5つのセクションから構成されます.

    +
    +
    name

    格子の名前です. 1行のテキストからなります. コメントや識別用であり, 実際の計算では利用されません.

    +
    +
    lattice

    格子の情報を指定するセクションです.

    +
      +
    • +
      1行目
        +
      • 格子の次元を表す整数.

      • +
      +
      +
      +
    • +
    • +
      2行目
        +
      • 格子のサイズを表す, 空白区切りで次元の数だけ並べられた整数の組.

      • +
      +
      +
      +
    • +
    • +
      3行目
        +
      • 格子の境界条件を表す, 空白区切りで次元の数だけ並べられた整数の組. +1 で周期的境界条件を, 0 で開放端境界条件を示します.

      • +
      +
      +
      +
    • +
    • +
      4行目以降
        +
      • 空間の基底ベクトル \(\vec{e}^i\) を表す, 空白区切りで次元の数+1 だけ並べられた数の組. +最初の整数はベクトルの番号 \(i\) を, 残りの数はベクトルのデカルト座標 \(e_d^i\) を示します.

      • +
      +
      +
      +
    • +
    +
    +
    directions

    ボンド(二体相互作用)の向きを指定するセクションです.

    +
      +
    • +
      1行目
        +
      • ボンドの向きの総数.

      • +
      +
      +
      +
    • +
    • +
      2行目以降
        +
      • 各向きを表すベクトルを表す, 空白区切りで次元の数+1 だけ並べられた数の組. +最初の整数は向きの番号を, 残りの数はベクトルの要素を示します. +lattice で指定されたベクトルを基底とします.

      • +
      +
      +
      +
    • +
    +
    +
    sites

    サイトの情報を指定するセクションです.

    +
      +
    • +
      1行目
        +
      • 格子に含まれるサイトの総数を表す整数.

      • +
      +
      +
      +
    • +
    • +
      2行目以降
        +
      • 各サイトの情報を表す空白区切りで次元の数+2 だけ並べられた数の組. 意味は次表の通り.

      • +
      +
      +
      +
    • +
    +
    +
    + ++++ + + + + + + + + + + + + + + + + +

    説明

    1

    サイト番号. 格子全体における通し番号.

    2

    サイトタイプ. ハミルトニアンTOML ファイルにおけるサイトタイプと対応する.

    3 ...

    lattice で指定されたベクトルを基底とするサイトの座標.

    +
    +
    interactions

    相互作用の空間情報を指定するセクションです.

    +
      +
    • +
      1行目
        +
      • 格子に含まれる多体相互作用の総数を表す整数.

      • +
      +
      +
      +
    • +
    • +
      2行目以降
        +
      • \(N = \text{関与サイト数} + 5\) 個の整数の組. 意味は次表の通り.

      • +
      +
      +
      +
    • +
    +
    +
    + ++++ + + + + + + + + + + + + + + + + + + + + + + + + + +

    説明

    1

    相互作用番号. 格子全体における通し番号.

    2

    相互作用タイプ. ハミルトニアン TOML ファイルにおける相互作用タイプと対応する.

    3

    関与サイト数

    4 ... (N-2)

    サイト番号

    N-1

    ボンドが周期境界をまたぐ場合には1, そうでなければ0

    N

    ボンドの方向番号

    +

    二次元正方格子の例を示します.

    +
    name
    +2 dimensional hypercubic lattice
    +
    +lattice
    +2 # dim
    +4 4 # size
    +1 1 # 0:open boundary, 1:periodic boundary
    +0 1.0 0.0 # latvec_0
    +1 0.0 1.0 # latvec_1
    +
    +directions
    +2 # ndirections
    +# id, coords...
    +0 1.0 0.0
    +1 0.0 1.0
    +
    +sites
    +16 # nsites
    +# id, type, coord...
    +0 0 0 0
    +1 0 1 0
    +2 0 2 0
    +3 0 3 0
    +4 0 0 1
    +5 0 1 1
    +6 0 2 1
    +7 0 3 1
    +8 0 0 2
    +9 0 1 2
    +10 0 2 2
    +11 0 3 2
    +12 0 0 3
    +13 0 1 3
    +14 0 2 3
    +15 0 3 3
    +
    +interactions
    +32 # nints
    +# id, type, nbody, sites..., edge_flag, direction
    +0 0 2 0 1 0 0
    +1 0 2 0 4 0 1
    +2 0 2 1 2 0 0
    +3 0 2 1 5 0 1
    +4 0 2 2 3 0 0
    +5 0 2 2 6 0 1
    +6 0 2 3 0 1 0
    +7 0 2 3 7 0 1
    +8 0 2 4 5 0 0
    +9 0 2 4 8 0 1
    +10 0 2 5 6 0 0
    +11 0 2 5 9 0 1
    +12 0 2 6 7 0 0
    +13 0 2 6 10 0 1
    +14 0 2 7 4 1 0
    +15 0 2 7 11 0 1
    +16 0 2 8 9 0 0
    +17 0 2 8 12 0 1
    +18 0 2 9 10 0 0
    +19 0 2 9 13 0 1
    +20 0 2 10 11 0 0
    +21 0 2 10 14 0 1
    +22 0 2 11 8 1 0
    +23 0 2 11 15 0 1
    +24 0 2 12 13 0 0
    +25 0 2 12 0 1 1
    +26 0 2 13 14 0 0
    +27 0 2 13 1 1 1
    +28 0 2 14 15 0 0
    +29 0 2 14 2 1 1
    +30 0 2 15 12 1 0
    +31 0 2 15 3 1 1
    +
    +
    +
    +
    +

    4.2.3. 格子TOML ファイル

    +

    格子TOML ファイルはユニットセルと基本並進ベクトルを用いて空間の情報を定義するための, +TOML 形式のファイルです. +dla_alg の入力ファイルとして扱われます.

    +

    parameterunitcell のふたつのテーブルから構成されます.

    +
    +
    parameter

    格子の情報を記述するテーブルです.

    +
    +
    name

    格子の名前です. 実際の計算には用いられません.

    +
    +
    dim

    格子の空間次元を表す整数です.

    +
    +
    L

    格子の大きさを表す整数配列です.

    +
    +
    bc

    格子の境界条件を表すブーリアンの配列です. +true が周期的境界条件を, false が開放端境界条件を示します.

    +
    +
    basis

    格子の基本並進ベクトルを表す2次元配列(配列の配列)です.

    +
    +
    +
    +
    unitcell

    ユニットセルの情報を記述するテーブルです.

    +
    +
    sites

    ユニットセル内のサイトを示すテーブルの配列です.

    +
    +
    siteid

    サイトのユニットセル内での識別番号です.

    +
    +
    type

    サイトタイプを示す整数です.

    +
    +
    coord

    ユニットセル内におけるサイトの局所座標を示す配列です.

    +
    +
    +
    +
    bonds

    ユニットセル内のボンドを示すテーブルの配列です.

    +
    +
    bondid

    ボンドのユニットセル内での識別番号です.

    +
    +
    type

    相互作用タイプを示す整数です.

    +
    +
    source

    ボンドの始点サイトの情報を表すテーブルです.

    +
    +
    siteid

    サイトのユニットセル内での識別番号です.

    +
    +
    +
    +
    target

    ボンドの終点サイトの情報を表すテーブルです.

    +
    +
    siteid

    サイトのユニットセル内での識別番号です.

    +
    +
    offset

    始点サイトの属するユニットセルから見た, +終点サイトの属するユニットセルの相対座標です.

    +
    +
    +
    +
    +
    +
    +
    +
    +

    二次元正方格子の例を示します.

    +
    [parameter]
    +name = "square lattice"
    +dim = 2
    +L = [4,4]
    +bc = [true, true]
    +basis = [[1,0], [0,1]]
    +
    +[unitcell]
    +
    +[[unitcell.sites]]
    +siteid = 0
    +type = 0
    +coord = [0,0]
    +
    +[[unitcell.bonds]]
    +bondid = 0
    +type = 0
    +source = { siteid = 0 }
    +target = { siteid = 0, offset = [1,0] }
    +[[unitcell.bonds]]
    +bondid = 1
    +type = 0
    +source = { siteid = 0 }
    +target = { siteid = 0, offset = [0,1] }
    +
    +
    +
    +
    +

    4.2.4. ハミルトニアンTOMLファイル

    +

    ハミルトニアンTOMLファイルは局所ハミルトニアン, 例えばボンドハミルトニアン, を指定する, +TOML 形式で記述されるテキストファイルです. +dla_alg の入力として, アルゴリズム定義ファイルを作成するために用いる補助入力ファイルとなっています. +ハイゼンベルグ模型などのよく用いられる模型については, +補助ツール dla_hamgen が用意されています.

    +
    +
    name

    ハミルトニアンの名前です. シミュレーション中で使われることはありません.

    +
    +
    sites

    サイトハミルトニアンの情報を記述するテーブルの配列です.

    +
    +
    type

    サイトタイプを示す整数です.

    +
    +
    N

    局所自由度が取りうる状態の数を示す整数です. +例えば \(S=1/2\) スピンでは 2 です.

    +
    +
    values

    局所自由度の基底演算子の対角要素. +例えば \(S=1/2\) スピンでは [-0.5, 0.5].

    +
    +
    elements

    サイトハミルトニアンの行列要素を示すテーブルの配列です.

    +
    +
    istate

    ハミルトニアンが作用する前のサイトの状態番号です.

    +
    +
    fstate

    ハミルトニアンが作用した後のサイトの状態番号です.

    +
    +
    value

    ハミルトニアンの行列要素の値です.

    +
    +
    +
    +
    sources

    ワームを導入するためのソースハミルトニアンの行列要素を示すテーブルの配列です.

    +
    +
    istate

    ハミルトニアンが作用する前のサイトの状態番号です.

    +
    +
    fstate

    ハミルトニアンが作用した後のサイトの状態番号です.

    +
    +
    value

    ハミルトニアンの行列要素の値です.

    +
    +
    +
    +
    +
    +
    interactions

    多体相互作用の情報を記述するテーブルの配列です.

    +
    +
    type

    相互作用タイプを示す整数です.

    +
    +
    nbody

    相互作用に関与するサイトの数を示す整数です.

    +
    +
    N

    相互作用に関与するサイトそれぞれで, 局所自由度が取りうる状態の数です. +整数の配列で指定します.

    +
    +
    elements

    相互作用ハミルトニアンの行列要素を記述するテーブルの配列です.

    +
    +
    istate

    相互作用ハミルトニアンが作用する前のサイトの状態を指定する整数の配列です.

    +
    +
    fstate

    相互作用ハミルトニアンが作用した後のサイトの状態を指定する整数の配列です.

    +
    +
    value

    相互作用ハミルトニアンの行列要素の値です.

    +
    +
    +
    +
    +
    +
    +

    \(S=1/2\) 反強磁性ハイゼンベルグ模型の例を示します.

    +
    name = "S=1/2 XXZ model"
    +[[sites]]
    +id = 0
    +N = 2
    +[[sites.elements]]
    +istate = 0
    +fstate = 0
    +value = 0.5
    +
    +[[sites.elements]]
    +istate = 1
    +fstate = 1
    +value = -0.5
    +
    +[[sites.sources]]
    +istate = 0
    +fstate = 1
    +value = 0.5
    +
    +[[sites.sources]]
    +istate = 1
    +fstate = 0
    +value = 0.5
    +
    +
    +[[interactions]]
    +id = 0
    +nbody = 2
    +N = [ 2, 2]
    +[[interactions.elements]]
    +istate = [ 0, 0]
    +fstate = [ 0, 0]
    +value = 0.25
    +
    +[[interactions.elements]]
    +istate = [ 0, 1]
    +fstate = [ 0, 1]
    +value = -0.25
    +
    +[[interactions.elements]]
    +istate = [ 0, 1]
    +fstate = [ 1, 0]
    +value = 0.5
    +
    +[[interactions.elements]]
    +istate = [ 1, 0]
    +fstate = [ 1, 0]
    +value = -0.25
    +
    +[[interactions.elements]]
    +istate = [ 1, 0]
    +fstate = [ 0, 1]
    +value = 0.5
    +
    +[[interactions.elements]]
    +istate = [ 1, 1]
    +fstate = [ 1, 1]
    +value = 0.25
    +
    +
    +
    +
    +

    4.2.5. 波数ファイル

    +

    波数ファイルは, 波数ベクトル

    +
    +\[\vec{k}^{(i)} = \sum_{d=1}^{D} n_d^{(i)} \vec{g}_d\]
    +

    \(\vec{n}^{(i)}\) を指定するテキストファイルです.

    +
    +
    dim

    格子の次元を示す整数です.

    +
    +
    kpoints

    波数ベクトルを指定するセクションです.

    +
      +
    • +
      1行目
        +
      • 波数ベクトルの総数.

      • +
      +
      +
      +
    • +
    • +
      2行目以降
        +
      • 波数ベクトルを表す, 空白区切りで次元の数+1 だけ並べられた数の組. +最初の整数は波数ベクトルの番号を, 残りの数はベクトルの要素 \(k_d\) を示します.

      • +
      +
      +
      +
    • +
    +
    +
    +

    ベクトルの基底は逆格子ベクトル \(\vec{g}\) です. +格子の座標が \(\vec{r} = \sum r_d \vec{e}_d\) で表現されて, +波数が \(\vec{k} = \sum k_d \vec{g}_d\) で表現されているとき, これらの内積は +\(\vec{r}\cdot\vec{k} = \sum_d 2\pi r_d k_d / L_d\) となります. +ここで \(L_d\)\(d\) 番目の次元における格子のサイズです.

    +

    二次元の例を示します.

    +
    dim
    +2
    +
    +kpoints
    +3
    +0 0 0
    +1 2 0
    +2 4 0
    +
    +
    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/dla/users-manual/output.html b/manual/v2.0.5/jp/dla/users-manual/output.html new file mode 100644 index 00000000..142afa73 --- /dev/null +++ b/manual/v2.0.5/jp/dla/users-manual/output.html @@ -0,0 +1,374 @@ + + + + + + + + 4.6. DLA の出力ファイル — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    4.6. DLA の出力ファイル

    +
    +

    4.6.1. フォーマット

    +

    DLA は計算結果を行区切りのプレーンテキストファイルで出力します. +行頭の文字はその行の意味を表します.

    +
    +
    P <name> = <value>

    入力パラメータファイルと格子ファイルから読み取ったパラメータ.

    +
    +
    R <name> = <mean> <error>

    計算で求められた物理量. <mean> は平均値を, <error> は標準誤差を示します.

    +
    +
    I <text> = <value>

    その他計算中に得られた情報.

    +
    +
    C <text>

    コメント.

    +
    +
    +

    以下にサンプル(反強磁性ハイゼンベルグ鎖)を示します.

    +
    C This is DSQSS ver.v2.0.0
    +
    +I N_PROC = 1
    +P D       =            1
    +P L       =            8
    +P BETA    =      10.0000000000000000
    +P NSET    =           10
    +P NPRE    =         1000
    +P NTHERM  =         1000
    +P NDECOR  =         1000
    +P NMCS    =         1000
    +P SEED    =    198212240
    +P NSEGMAX =        10000
    +P NVERMAX =        10000
    +P BETA    = 10.000000000000
    +P NTAU    =           10
    +P NCYC    =            7
    +P ALGFILE = algorithm.xml
    +P LATFILE = lattice.xml
    +P WVFILE = wv.xml
    +P DISPFILE  = disp.xml
    +P OUTFILE    = sample.log
    +P CFOUTFILE  = cf.dat
    +P SFOUTFILE  = sf.dat
    +P CKOUTFILE  = ck.dat
    +P SIMULATIONTIME   =     0.000000
    +R sign = 1.00000000e+00 0.00000000e+00
    +R anv = 3.03805000e+00 1.25395375e-02
    +R ene = -4.55991910e-01 1.20267537e-03
    +R spe = -1.76672204e-02 4.09064489e-02
    +R som = -1.76672204e-01 4.09064489e-01
    +R len = 1.20014021e+01 4.78403202e-02
    +R xmx = 3.00035053e-01 1.19600800e-03
    +R amzu = -2.00000000e-04 1.08972474e-04
    +R bmzu = -2.00000000e-04 1.08972474e-04
    +R smzu = 1.32382500e-03 1.40792745e-04
    +R xmzu = 1.32382500e-02 1.40792745e-03
    +R ds1 = -1.32954309e-03 7.87178338e-04
    +R wi2 = 2.31040000e+01 3.83762890e-01
    +R rhos = 1.44400000e-01 2.39851806e-03
    +R rhof = inf nan
    +R comp = 2.43165481e+35 1.71412709e+35
    +R amzs0 = -2.00000000e-04 1.08972474e-04
    +R bmzs0 = 1.65625000e-04 1.76161818e-05
    +R smzs0 = 1.32382500e-03 1.40792745e-04
    +R xmzs0 = 1.32382500e-02 1.40792745e-03
    +R amzs1 = -9.25000000e-04 4.02247160e-03
    +R bmzs1 = 1.09209375e-01 1.12051866e-03
    +R smzs1 = 8.72503175e-01 8.93939492e-03
    +R xmzs1 = 3.00500011e+00 2.99056535e-02
    +R time = 1.03679300e-07 1.22794234e-09
    +I [the maximum number of segments]          = 123
    +I [the maximum number of vertices]          = 66
    +I [the maximum number of reg. vertex info.] = 3
    +
    +
    +

    以下の物理量定義に現れる記号の意味を示します.

    +
    +
    \(N_s\)

    サイト数.

    +
    +
    \(Q(\vec{k})\)

    格子点 \(i\) 上で定義される任意の演算子 \(Q_i\) のフーリエ変換.

    +

    \(\displaystyle Q(\vec{k}) \equiv \frac{1}{\sqrt{N_s}} \sum_i^{N_s} Q_i e^{-i\vec{r}_i\cdot\vec{k}}\)

    +
    +
    \(Q(\tau)\)

    虚時間 \(\tau\) における演算子.

    +

    \(\displaystyle Q(\tau) \equiv \exp\left[\tau \mathcal{H}\right] Q(\tau=0) \exp\left[-\tau \mathcal{H}\right]\)

    +
    +
    \(\tilde{Q}\)

    任意の演算子 \(Q\) について, 虚時間方向の平均 \(\displaystyle \frac{1}{\beta}\int_0^\beta \! \mathrm{d} \tau Q(\tau)\)

    +
    +
    \(M^z\)

    局所自由度の量子化軸方向成分. +たとえばスピン系では局在スピン演算子の \(z\) 成分 \(S^z\) で, +ボース粒子系では数演算子 \(n\) です.

    +
    +
    \(M^\pm\)

    \(M^z\) の昇降演算子. +スピン系では \(M^{\pm} \equiv S^\pm\) , +ボース粒子系では生成消滅演算子 \(M^+ \equiv b^\dagger\) および \(M^- \equiv b\) .

    +
    +
    \(M^x\)

    非対角秩序変数. +スピン系では \(M^x \equiv (S^+ + S^-)/2\) , +ボース粒子系では \(M^x \equiv (b + b^\dagger)\) .

    +
    +
    \(T\)

    温度.

    +
    +
    \(\beta\)

    逆温度.

    +
    +
    \(E_0\)

    非摂動ハミルトニアンの期待値の虚時間平均 +\(\displaystyle \frac{1}{\beta}\int d\tau \langle \phi(\tau)|\mathcal{H}_0|\phi(\tau)\rangle\).

    +
    +
    \(N_v\)

    バーテックスの数, すなわち摂動の次数.

    +
    +
    \(h\)

    \(M^z\) に共役な外場. +スピン系では縦磁場, ボース粒子系では化学ポテンシャル.

    +
    +
    \(\left\langle Q \right\rangle\)

    任意の演算子 \(Q\) のグランドカノニカル平均.

    +
    +
    +
    +
    +

    4.6.2. メイン出力

    +

    メイン出力ファイルは, 入力パラメータファイルの outfile キーワードで指定した名前で出力されます.

    +

    NOTICE: 一般にモンテカルロ法では, 比熱や感受率など, サンプル平均の非線形関数を含むような量の期待値には, モンテカルロサンプル数 \(N\) (nmcs)に対して \(O(1/N)\) の系統誤差も含まれます. +たとえば, エネルギーギャップ以下の極低温領域など, 比熱の値が非常に小さくなるような場合には計算結果が負になることがあります. +精密な解析には統計誤差だけではなく, 系統誤差にも注意する必要があります.

    +
    +
    sign

    重みの符号.

    +

    \(\frac{\sum_i W_i }{ \sum_i |W_i| }\), ここで \(i\) はモンテカルロサンプルの番号.

    +
    +
    anv

    サイトあたりの平均バーテックス数.

    +

    \(\displaystyle \frac{\langle N_v \rangle}{N_s}\)

    +
    +
    ene

    エネルギー密度.

    +

    \(\displaystyle \epsilon \equiv \frac{1}{N_s}\left(\langle E_0 \rangle - T\langle N_v\rangle\right)\)

    +
    +
    spe

    比熱.

    +

    \(\displaystyle C_V \equiv \frac{\partial \epsilon}{\partial T} = \frac{1}{N_s T^2} \left[\left\langle\left(E_0 - TN_v\right)^2\right\rangle - \left\langle\left(E_0 - TN_v\right)\right\rangle^2 - T^2\left\langle N_v \right\rangle\right]\)

    +
    +
    som

    比熱と温度の比.

    +

    \(\displaystyle \gamma \equiv \frac{C_V}{T} = \beta C_V\)

    +
    +
    len

    平均ワーム長さ.

    +
    +
    xmx

    横感受率.

    +
    +
    amzu

    「磁化」(uniform, \(\tau=0\)).

    +

    \(\displaystyle m^z \equiv \frac{1}{N_s} \sum_i^{N_s} M^z_i\) としたときの +\(\left\langle m^z \right\rangle\) .

    +
    +
    bmzu

    「磁化」(uniform, \(\tau\) 平均). \(\left\langle \tilde{m}^z \right\rangle\) .

    +
    +
    smzu

    構造因子(uniform).

    +

    \(\displaystyle S^{zz}(\vec{k}=0) \equiv \frac{1}{N_s} +\sum_{i, j} e^{i \vec{k}\cdot(\vec{r}_i-\vec{r}_j)} \left[ +\left\langle M^z_i M^z_j\right\rangle +- \left\langle M_i^z \right\rangle \left\langle M_j^z \right\rangle +\right] \Bigg|_{\vec{k}=0} += +N_s \left[ \left\langle (m^z)^2\right\rangle +- \left\langle m^z\right\rangle^2 \right]\)

    +
    +
    xmzu

    縦感受率(uniform).

    +

    \(\displaystyle \chi^{zz}(\vec{k}=0, \omega=0) \equiv +\frac{\partial \left\langle \tilde{m}^z \right\rangle}{\partial h} = +\beta N_s\left[ \left\langle \left(\tilde{m}^z\right)^2\right\rangle +- \left\langle \tilde{m}^z\right\rangle^2 \right]\)

    +
    +
    amzsK

    「磁化」("staggered", \(\tau=0\))

    +

    \(\displaystyle m_K^z \equiv \frac{1}{N_s} \sum_i^{N_s} M_i^z \cos\left( \vec{k}\cdot\vec{r_i} \right)\) +としたときの \(\left\langle m_s^z \right\rangle\) . +\(K\) は波数ベクトルXMLファイルで定義された波数 \(k\) のインデックス.

    +
    +
    bmzuK

    「磁化」("staggered", \(\tau\) 平均). \(\left\langle \tilde{m}_K^z \right\rangle\) .

    +
    +
    smzsK

    構造因子 ("staggered").

    +

    \(\displaystyle S^{zz}(\vec{k}) = N_s \left[ \left\langle (m_K^z)^2 \right\rangle - \left\langle m_K^z \right\rangle^2 \right]\)

    +
    +
    xmzsK

    縦感受率 ("staggered").

    +

    \(\displaystyle \chi^{zz}(\vec{k}, \omega=0) += \beta N_s \left[\left\langle (\tilde{m}_K^z)^2 \right\rangle - \left\langle \tilde{m}_K^z \right\rangle^2 \right]\)

    +
    +
    ds1

    「磁化 amzu 」の温度微分.

    +

    \(\displaystyle T\frac{\partial \left\langle \tilde{m}^z \right\rangle}{\partial T} = -\beta\frac{\partial \left\langle \tilde{m}^z \right\rangle}{\partial\beta}\)

    +
    +
    wi2

    ワインディングナンバー.

    +

    \(\displaystyle W^2 = \sum_{d=1}^D L_d^2 \left\langle W_d^2 \right\rangle\)

    +
    +
    rhos

    超流動密度.

    +

    \(\displaystyle \rho_s = \frac{W^2}{2DV\beta}\)

    +
    +
    rhof

    超流動比 (superfluid fraction).

    +

    \(\displaystyle \frac{\rho_s}{\left\langle m^z \right\rangle}\)

    +
    +
    comp

    圧縮率 (compressibility).

    +

    \(\displaystyle \frac{\chi^{zz}(\vec{k}=0,\omega=0)} {\left\langle \tilde{m}^z \right\rangle^2}\)

    +
    +
    time

    モンテカルロスイープあたりの計算時間(秒).

    +
    +
    +
    +
    +

    4.6.3. 構造因子出力ファイル

    +

    構造因子出力ファイルは, 入力パラメータファイルの sfoutfile キーワードで指定した名前で出力されます. +このファイルには虚時間構造因子

    +
    +\[S^{zz}(\vec{k}, \tau) \equiv +\left\langle M^z(\vec{k}, \tau) M^z(-\vec{k}, 0) \right\rangle +- \left\langle M^z(\vec{k}, \tau)\right\rangle \left\langle M^z(-\vec{k}, 0)\right\rangle\]
    +

    が出力されます. +波数 \(\vec{k}\) や虚時間 \(\tau\) の値は, 物理量名を用いて

    +
    R C0t0 = 1.32500000e-03 1.40929454e-04
    +R C0t1 = 1.32500000e-03 1.40929454e-04
    +R C1t0 = 7.35281032e-02 3.18028565e-04
    +
    +
    +

    のように C<k>t<t> という形で区別されます. +ここで <k> は波数ベクトル XMLファイルの kindex (KR タグの最終要素) で指定される波数のインデックスで, +<t> は離散化した虚時間のインデックス.

    +
    +
    +

    4.6.4. 実空間表示温度グリーン関数出力ファイル

    +

    実空間表示温度グリーン関数出力ファイルは, 入力パラメータファイルの cfoutfile キーワードで指定した名前で出力されます. +このファイルには温度グリーン関数

    +
    +\[G(\vec{r}_{ij}, \tau) \equiv \left\langle M_i^+(\tau) M_j^- \right\rangle\]
    +

    が出力されます. 変位 \(\vec{r}_{ij}\) や虚時間 \(\tau\) の値は構造因子と同様に, +C<k>t<t> という形で物理量名によって区別されます. +ここで <k> は変位XML ファイルの kind (R タグの第一要素) で指定される変位のインデックスで, +<t> は離散化した虚時間のインデックス.

    +

    NOTICE: +現在のバージョンでは \(S=1/2\) のモデル以外はうまく計算できません.

    +
    +
    +

    4.6.5. 波数表示温度グリーン関数出力ファイル

    +

    波数表示温度グリーン関数出力ファイルは, 入力パラメータファイルの ckoutfile キーワードで指定した名前で出力されます. +このファイルには温度グリーン関数

    +
    +\[G(\vec{k}, \tau) \equiv \left\langle M^+(\vec{k}, \tau) M^-(-\vec{k}, 0) \right\rangle\]
    +

    が出力されます. +波数 \(\vec{k}\) や虚時間 \(\tau\) の値は構造因子と同様に, +C<k>t<t> という形で物理量名によって区別されます. +ここで <k> は波数ベクトルXMLファイルの kindex (RK タグの最終要素) で指定される波数のインデックスで, +<t> は離散化した虚時間のインデックス.

    +

    NOTICE: +現在のバージョンでは \(S=1/2\) のモデル以外はうまく計算できません.

    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/dsqss/about_dsqss.html b/manual/v2.0.5/jp/dsqss/about_dsqss.html new file mode 100644 index 00000000..888f2556 --- /dev/null +++ b/manual/v2.0.5/jp/dsqss/about_dsqss.html @@ -0,0 +1,253 @@ + + + + + + + + 1. DSQSSとは? — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    1. DSQSSとは?

    +
    +

    1.1. 概要

    +

    DSQSSは, 連続虚数時間向き付きループアルゴリズムに基づく量子モンテカルロ法によって離散空間上で定義された量子多体問題を解くためのプログラム群です. +単位格子の情報, 2体相互作用ハミルトニアンの行列要素などを入力ファイルとして広い範囲のモデルに対応しています. +例えば, 次元, 格子の1辺の長さ, 相互作用の異方性, スピンの大きさ, 磁場の大きさ, 温度などのパラメータを任意にとって, XXZハイゼンベルクモデルの計算を行うことができます. +また, ボーズ系のシミュレーションも可能です. +大規模並列化に対応したプログラムPMWAも含まれています.

    +

    DSQSSは, 以下のサブシステム群から構成されています.

    +
      +
    • シリアル版 DSQSS/DLA

      +
      +
        +
      1. シンプルモード入力ファイルジェネレータ: dla_pre

      2. +
      3. ハミルトニアンファイルジェネレータ: dla_hamgen

      4. +
      5. 格子ファイルジェネレータ: dla_latgen

      6. +
      7. 波数ファイルジェネレータ: dla_latgen

      8. +
      9. パラメータファイルジェネレータ: dla_pgen

      10. +
      11. アルゴリズムジェネレータ: dla_alg

      12. +
      13. 量子モンテカルロ法エンジン(向き付きループアルゴリズム): dla

      14. +
      +
      +
    • +
    • 非自明並列版 DSQSS/PMWA

      +
      +
        +
      1. 入力ファイルジェネレータ: pmwa_pre

      2. +
      3. 格子定義ジェネレータ: lattgene_P

      4. +
      5. 量子モンテカルロ法エンジン(向き付きループアルゴリズム): pmwa_H (XXZ模型), pmwa_B (ハードコアボソン系)

      6. +
      +
      +
    • +
    +
    +
    +

    1.2. リリース情報

    +
      +
    • 2024.3.22 dsqss Ver. 2.0.5 +バグフィックス

    • +
    • 2021.2.16 dsqss Ver. 2.0.4 +バグフィックス

    • +
    • 2020.8.27 dsqss Ver. 2.0.3 +バグフィックス

    • +
    • 2020.7.21 dsqss Ver. 2.0.2 +バグフィックス

    • +
    • 2019.6.4 dsqss Ver. 2.0.1 +バグフィックス

    • +
    • 2019.5.29 dsqss Ver. 2.0.0 +バグフィックス, 公式リリース

    • +
    • 2019.3.20 dsqss Ver. 2.0.beta +ソルバーをdlaに統一、入力ファイルの変更、入力ファイル生成ツールの更新など

    • +
    • 2018.10.19 dsqss Ver 1.2.0 +CMake の導入, 入力ファイル生成支援スクリプト dsqss_pre.py の追加など

    • +
    • 2015.11.20 dsqss-Ver.1.1.17+pmwa-Ver.1.1.2 +GCCに対応, PMWA, configure修正, その他/toolのスクリプトを追加

    • +
    • 2014.03.28 Ver.1.1.16 +シングルモード(非MPI環境)に対応

    • +
    • 2013.07.22 Ver.1.1.15 +レプリカ交換法の不具合の修正, マニュアルの一部修正

    • +
    • 2013.01.10 Ver.1.1.14 +メモリ増大の不具合の修正, マニュアルの一部修正

    • +
    • 2012.10.03 Ver.1.1.13 +サンプルの追加, その他微修正

    • +
    • 2012.7.12 Ver.1.1.12 +物性研システムBのMPI環境に対応したマクロを生成

    • +
    • 2012.6.7 Ver.1.1.11 +doxygen, sphinxの自動生成makeの作成, その他微修正

    • +
    • 2012.3.25 Ver.1.1.10 +exact_H.ccの修正, 実行モジュール名hamgen_Hに変更

    • +
    • 2012.3.23 Ver.1.1.9 +runConfigure, dla.ccの不具合修正

    • +
    • 2012.3.14 Ver.1.1.8 +コードdla_alg.ccのコメント文修正

    • +
    • 2012.2.29 Ver.1.1.6 +バグ修正, マニュアルの整備追加

    • +
    • 2011.9.30 Ver.1.1 +レプリカ交換計算機能の追加

    • +
    • 2011.9.25 Ver.1.0.20 +温度の規格化, GNU拡張の廃止等修正

    • +
    • 2011.3.31 Ver.1.0

    • +
    +
    +
    +

    1.3. 開発者

    +
      +
    • 加藤康之(東京大学工学系研究科)

    • +
    • 川島直輝(東京大学物性研究所)

    • +
    • 坂倉耕太(NEC)

    • +
    • 鈴木隆史(兵庫県立大学工学研究科)

    • +
    • 原田健自(京都大学情報学研究科)

    • +
    • 正木晶子(日立研究所)

    • +
    • 本山裕一(東京大学物性研究所)

    • +
    • 吉見一慶(東京大学物性研究所)

    • +
    +

    2019/04/02 現在

    +
    +
    +

    1.4. 協力者

    +
      +
    • 大久保毅 (東京大学理学系研究科)

    • +
    • 加藤岳生 (東京大学物性研究所)

    • +
    +

    2019/04/02 現在

    +
    +
    +

    1.5. ライセンス

    +
      +
    • GNU General Public License (GPL)に基づきます.

    • +
    • 利用のための必須条件ではありませんが, DSQSS を利用した論文を執筆した際には, 以下の文献を引いていただけると幸いです.

    • +
    + +
    +
    +

    1.6. 謝辞

    +

    本ソフトウェアの研究開発は, 一部, 次世代スパコンプロジェクト「次世代ナノ統合シミュレーションソフトウェア研究開発」および2018年度東京大学物性研究所ソフトウェア開発・高度化プロジェクトの援助によって行われました. ここに感謝の意を記します.

    +
    +
    +

    1.7. 連絡・問い合わせ先

    +

    GitHubページのissueもしくはDSQSS開発者用メーリングリスト dsqss-dev@issp.u-tokyo.ac.jp にご連絡ください.

    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/dsqss/algorithm.html b/manual/v2.0.5/jp/dsqss/algorithm.html new file mode 100644 index 00000000..4c5d496e --- /dev/null +++ b/manual/v2.0.5/jp/dsqss/algorithm.html @@ -0,0 +1,262 @@ + + + + + + + + 7. アルゴリズム — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    7. アルゴリズム

    +
    +

    7.1. 経路積分サンプリング

    +

    DSQSSでは, 分配関数を

    +
    +\[Z \equiv \text{Tr} e^{-\beta H} =\sum_S W(S)\]
    +

    と経路積分表示したのち, マルコフ過程によって状態 \(S\) を確率的時系列的に発生し, これをサンプリングします(経路積分モンテカルロ法). +ここで \(H\) は系を記述するハミルトニアンで, 「状態」とは \(d+1\) 次元時空上で定義された古典変数の場です +(モデルが定義されている空間次元を \(d\) として, これに虚数時間軸を加えたものを \(d+1\) 次元時空と呼びます). +また c-数 \(W(S)\) は状態 \(S\) のボルツマン重みです. +「状態」をひとつ定めることは, スピンや粒子の空間的な配置が虚数時間の増加に伴って変化する経路をひとつ定めることと等価であるため, +状態 \(S\) は「経路」とも呼ばれます. +ボーズ粒子系のように局所的な粒子数保存則が成立する場合に, +状態を粒子の存在位置を実線でつないだ軌跡(=世界線)の集まりとして視覚化することが多いため, +経路積分モンテカルロ法は「世界線モンテカルロ法」とも呼ばれます. +マルコフ過程の遷移確率は, 定常分布において状態の出現頻度が重み \(W(S)\) に比例するように定義されます. +マルコフ過程で順次出現する状態を \(S_t (t=1, 2, 3....)\) とした時, 演算子 \(Q\) の期待値

    +
    +\[\langle Q \rangle \equiv \mathrm{Tr}( Q e^{-\beta H} ) /\mathrm{Tr}( e^{-\beta H} )\]
    +

    \(Q\) に対応する観測量 \(Q(S)\) の統計的期待値

    +
    +\[\langle Q \rangle_\text{MC} \equiv \frac{1}{N_\text{MCS}}\sum_{t = N_\text{therm}+1}^{N_\text{MCS}+N_\text{therm}} Q(S_t)\]
    +

    によって近似されます. +この近似は初期条件の影響による系統誤差と, サンプリングによる統計誤差を含みます. +系統誤差が無視できるためには, 空回し数 \(N_\text{therm}\) が初期緩和時間よりも大きいことが必要で, +その限りでは指数関数的に速やかに収束します. +一方統計誤差はサンプル数 \(N_\text{MCS}\) を大きくしたときに, +この \(1/2\) 乗に逆比例して小さくなることが期待されます.

    +
    +
    +

    7.2. ワーム更新法

    +

    マルコフ過程の遷移確率の構成方法, すなわち状態更新方法にはいろいろな種類があり, +それぞれ利点・欠点があります. +スピン系, ボーズ系のシミュレーションで用いられる代表的な更新方法はループ更新とワーム更新です. +ループ更新は全系をループと呼ばれるクラスターに分割してループごとに状態更新するもので, +高速な更新が可能だが, 一様磁場中での反強磁性体やボーズ系では効率が著しく低下してしまいます. +一方ワーム更新は, 全系に保存則を破る点(ワーム)を2つ導入して, +これらの点を移動させることで状態を更新する方法です. +ワームは非対角成分のみをもつ演算子に対応します. +たとえば, 各点での粒子数が対角化されている表示を用いたボーズ系のシミュレーションでは, +ワーム演算子として生成消滅演算子を用います. +このとき, ワームの前後の虚数時刻では粒子数が1だけ異なっていて, +このワームが移動すると, ワームが通過した部分の粒子数は通過前から1だけ変化し, +ワームの移動によって状態が更新されていきます. +ワーム更新法は, 上記のループ更新に比べると広い範囲のモデルで有効です.

    +

    オリジナルのワーム更新法では, ワームは虚時間方向および実空間方向にランダムウォークしていました. +一方, ワームの空間方向での移動が起きる候補であるバーテックスを, +ループ更新と同様にしてあらかじめ作り, +ワームはバーテックスにぶつかるまで虚時間方向で直進するようにしたものが向き付きループアルゴリズム(DLA)です. +DSQSS/DLA はDLA を実装したプログラムです.

    +
    +
    +

    7.3. マルチワームアルゴリズム

    +

    DLAではただひとつのワームヘッドを動かすことで状態を更新しているため, 時空間分割などの非自明並列が行えません. +この問題を解決するために提案されたアルゴリズムが, ワーム対の個数制限を取り除いたマルチワームアルゴリズム (MWA) および +その時空間並列版アルゴリズムである PMWA です. +DSQSS/PMWA はPMWA を実装したプログラムです.

    +
    +
    +

    7.4. on-the-fly バーテックス法

    +

    ワーム更新法では, +ワームの生成, ワームの時間方向の移動, ワームの空間方向の移動(散乱), ワームの消滅などからなるサイクルが更新の時間的単位となっていて, +このサイクルを繰り返すことで逐次的に状態が更新されます. +このうちワームの空間方向の移動を実現する仕方として, +移動の起こる場所(バーテックス)をあらかじめ全系に配置しておくやり方(固定バーテックス法)と, +ワームの進行方向に必要に応じて配置するやり方(on-the-fly バーテックス法)とがあります. +固定バーテックス法では, 状態更新の基本的単位(1モンテカルロステップ)は,

    +
      +
    1. バーテックスの配置

    2. +
    3. ワームの生成から消滅までの(複数)サイクル

    4. +
    +

    のふたつのフェーズからなりますが, on-the-flyバーテックス法ではこのうちの2のみを行います.

    +

    DSQSS/DLA では, on-the-fly バーテックス法を, DSQSS/PMWA では固定バーテックス法を採用します.

    +
    +
    +

    7.5. バーテックス配置

    +

    分配関数に現れる重み \(W(S)\) は格子点 \(i, j\) 間の相互作用を \(H_{ij}\) として,

    +
    +\[W(S) = \prod_{(ij), \tau} \langle S_i (\tau + \Delta \tau) S_j(\tau + \Delta \tau)| e^{-\Delta \tau H_{ij}}| S_i (\tau) S_j(\tau)\rangle\]
    +

    と書けます. +ここで, 虚数時間 \(\tau\) に関する積は \(\Delta \tau\) を単位として離散化されているとしました +(これは説明のためであり, 実際の計算では連続虚数時間で行われます). +\(H_{ij}\) で相互作用する実空間の2点 \(i, j\) に関して, +虚数時間区間 \([0, \beta)\) は状態 \(S_i (\tau)\)\(S_j(\tau)\) に不連続変化がある時刻によって有限個の区間に分割されます. +各区間内では, 2点の状態は \(S_i (\tau), S_j (\tau)\) は一定であり, 密度

    +
    +\[\langle S_i S_j | E_0 - H_{ij} | S_i S_j \rangle\]
    +

    でバーテックスが一様ランダムに確率的に配置されます. +ここで, エネルギーシフト \(E_0\) はある定数であり, 上記の密度が正である限り任意にとることができます. +状態一定の区間に配置されるこれらのバーテックスに加えて, +状態変化(キンク)のある虚数時刻に対しては, +確率1でその時刻にバーテックスが配置されます. +バーテックスはファインマンダイアグラムを用いた分配関数の展開における相互作用グラフに対応します.

    +
    +
    +

    7.6. ワームの生成・消滅

    +

    ワームの生成にあたっては, まず状態遷移先の候補として, +時空から一様ランダムに時空点 \(i, \tau\) とワーム対を表す非対角演算子対 \(Q, Q'\) を選びます. +次に確率 \(p_\text{create}\) で実際にワーム対を生成します. +消滅はこの逆過程であり, ワーム対が同じ時空点に来た時に一定の確率 \(p_\text{annihilate}\) で消滅します. +これらの確率は次の式で表される詳細つり合い条件

    +
    +\[\frac{\Delta \tau}{\beta N_\text{site} N_Q} \times p_\text{create} = p_\text{annihilate} \times (\eta \Delta \tau)^2 \langle S_i (\tau) | Q_i | S_i'(\tau) \rangle \langle S_i' (\tau) | Q_i' | S_i(\tau) \rangle\]
    +

    が成り立つように定められます. +ここで, \(N_Q\) は取りうる \(Q\) の数で, \(S'\)\(\langle S | Q | S' \rangle\) が非ゼロの値を取る(普通は \(S, Q\) の組に対して一意に定まる)状態です. +また, \(\eta\) はワーム演算子に共役な場の量で, 例えばスピン系でワーム演算子を昇降演算子にとったときは横磁場(の半分)です. +DLAでは, \(\eta\) の値は任意にとれるので, +DSQSS/DLA の補助ツール dla_alg では \(\eta^{-2} = \beta N_\text{site} N_Q \Delta\tau \max_{S, Q} |\langle S | Q_i |S' \rangle|^2\) +とすることで

    +
    +\[p_{\rm create} = |\langle S_i (\tau) | Q_i | S_i'(\tau) \rangle|^2/\max_{S, Q} |\langle S | Q_i | S' \rangle|^2\]
    +

    かつ \(p_\text{annihilate}=1\) としています. +algorithm.xml をユーザが独自に編集することで, +ユーザの指定した生成消滅確率でシミュレーションを行うことも可能です.

    +
    +
    +

    7.7. ワームの散乱

    +

    バーテックスにおけるワームの散乱は, バーテックス自体の重みとワームの持つ重みとの間に詳細つり合いが成立するように決定されます. +たとえば, 虚数時刻が増加する方向にサイト \(i\) 上を移動してきたワームが虚数時刻 \(\tau\) にあるバーテックスに当たり, +サイト \(j\) を虚数時刻が減少する方向に出ていく過程を考えると, +このような衝突が選ばれる確率 \(P\) と, 逆向きの衝突が選ばれる確率 \(P'\) との間には

    +
    +\[\begin{split}& P \times \langle S_i (\tau+0) S_j (\tau+0) | E_0 -H_{ij} |S_i (\tau) S_j (\tau) \rangle \langle S_i (\tau) | Q_i | S_i'\rangle \\ +& = P' \times \langle S_i (\tau+0) S_j (\tau+0) | E_0 -H_{ij} |S_i' (\tau) S_j' (\tau) \rangle \langle S_j' (\tau) | Q_j | S_j\rangle\end{split}\]
    +

    の関係が満たされる必要があります. +ここで \(Q_i, Q_j\) はワームを表す非対角演算子, \(S'_i (\tau), S'_j (\tau)\) はワームが通過した後のそれぞれのサイト, 時刻の状態です. +DSQSS/DLAでは, algorithm.xml ファイルをユーザが直接編集することによって, 任意の散乱確率を指定できるほか, +ハミルトニアンを指定したときに, このような条件を満たす散乱確率を自動的に計算する補助ツール dla_alg を持っています.

    +
    +
    +

    7.8. 参考文献

    + +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/dsqss/index.html b/manual/v2.0.5/jp/dsqss/index.html new file mode 100644 index 00000000..d1f24fea --- /dev/null +++ b/manual/v2.0.5/jp/dsqss/index.html @@ -0,0 +1,136 @@ + + + + + + + + <no title> — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + + + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/dsqss/install.html b/manual/v2.0.5/jp/dsqss/install.html new file mode 100644 index 00000000..433ce446 --- /dev/null +++ b/manual/v2.0.5/jp/dsqss/install.html @@ -0,0 +1,234 @@ + + + + + + + + 2. インストール — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    2. インストール

    +
    +

    2.1. 必要なライブラリ

    +

    DSQSSの使用には以下のプログラム・ライブラリが必要です.

    +
      +
    • (Optional) MPI (PMWAを使用する場合には必須)

    • +
    • python 3.6+

      +
      +
        +
      • numpy

      • +
      • scipy

      • +
      • toml

      • +
      • typing_extensions (Python 3.6, 3.7 の場合)

      • +
      +
      +
    • +
    +
    +
    +

    2.2. ダウンロード

    +
      +
    • アーカイブファイル (tar.gz) をダウンロードする場合

      +

      DSQSSの最新版は https://github.com/issp-center-dev/dsqss/releases からダウンロードできます.

      +
    • +
    • gitを利用する場合

      +

      Gitを利用されている方は, 端末から以下のコマンドを打つことで直接ダウンロードできます.

      +

      $ git clone https://github.com/issp-center-dev/dsqss.git

      +
    • +
    +
    +
    +

    2.3. フォルダ構成

    +

    DSQSSのダウンロード後にzipファイルを解凍すると, ファイルが展開されます(gitを利用された方は, cloneを行ったファイル直下のフォルダ構成になります). +以下, 重要なファイル・フォルダについてその構成を記載します.

    +
    |-- CMakeLists.txt
    +|-- LICENSE
    +|-- README.md
    +|-- config/
    +|-- doc/
    +|-- sample/
    +|   |-- dla/
    +|   `-- pmwa/
    +|-- src/
    +|   |-- common/
    +|   |-- dla/
    +|   |-- pmwa/
    +|   `-- third-party/
    +|-- test/
    +|   |-- dla/
    +|   |-- pmwa/
    +|   `-- tool/
    +`-- tool/
    +    |-- cmake/
    +    |-- dsqss/
    +    `-- setup.py
    +
    +
    +
    +
    +

    2.4. インストール

    +

    インストールは以下の手順で行うことが出来ます. +以下, ダウンロードしたファイルの直下にいることを想定しています.

    +
    $ mkdir dsqss.build && cd dsqss.build
    +$ cmake ../ -DCMAKE_INSTALL_PREFIX=/path/to/install/to
    +$ make
    +
    +
    +

    /path/to/install/to をインストールしたい先のパスに設定してください(例: $HOME/opt/dsqss ). +指定しなかった場合のデフォルト値は /usr/local です.

    +
    +

    注釈

    +

    CMake はデフォルトで /usr/bin/c++ を C++ コンパイラとして使用します. +これ以外のコンパイラ、例えば インテルコンパイラ icpc を使いたい場合は, +-DCMAKE_CXX_COMPILER オプションを用いて明示的に指定してください:

    +
    $ cmake ../ -DCMAKE_CXX_COMPILER=icpc
    +
    +
    +

    インテルコンパイラに関しては, コンパイルオプション込みで設定するためのオプションを DSQSS 側で用意してあります:

    +
    $ cmake ../ -DCONFIG=intel
    +
    +
    +

    詳細については https://github.com/issp-center-dev/HPhi/wiki/FAQ をご覧ください.

    +
    +
    +

    注釈

    +

    CMake は自動的に Python のインタープリタを探します。 +明示的に指定したいときは -DPYTHON_EXECUTABLE オプションを用いてください:

    +
    $ cmake ../ -DPYTHON_EXECUTABLE=`which python3`
    +
    +
    +
    +

    これにより各実行ファイルが dsqss.build/src ディレクトリ以下に, +入力ファイルの生成ツールが dsqss.build/tool ディレクトリ以下に作成されます. +次に作成された実行ファイルが正常に動作するかテストするため, 以下のコマンドを打ちます.

    +
    $ make test
    +
    +
    +

    テストが100%通過したことが確認できた後, 以下のコマンドを入力しインストールします.

    +
    $ make install
    +
    +
    +

    実行バイナリが先に指定したインストールパスにある bin ディレクトリに, +サンプルが share/dsqss/VERSION/samples にインストールされます. +また, 補助ツールを含めたDSQSS の実行に必要な環境変数を設定するためのファイルが share/dsqss/dsqssvar-VERSION.sh に生成されます. +DSQSS の実行前にはこのファイルを source コマンドで読み込んでください.

    +
    $ source share/dsqss/dsqssvar-VERSION.sh
    +
    +
    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/dsqss/usage.html b/manual/v2.0.5/jp/dsqss/usage.html new file mode 100644 index 00000000..aa7e57e2 --- /dev/null +++ b/manual/v2.0.5/jp/dsqss/usage.html @@ -0,0 +1,421 @@ + + + + + + + + 使用方法 — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    使用方法

    +

    DSQSSでは予め定義されたモデルを簡易実行できるよう, +入力ファイル作成ツール dsqss_pre.py を用意しています. +ここでは, このツールを利用したDSQSSの実行方法について簡単に説明します. +なお, DSQSS/DLAでは, 複雑な模型をユーザーが定義し実行することも出来ます. +詳細については DSQSS/DLAのユーザーマニュアル をご覧ください.

    +
    +

    入力ファイルの作成

    +

    dsqss_pre.py の実行には, テキストベースの入力ファイルが必要です. +以下に, 入力ファイルの例を記載します.

    +
    [System]
    +solver = DLA
    +[Hamiltonian]
    +model_type = spin
    +M = 1
    +J = 1.0
    +F = 0.0
    +[Lattice]
    +lattice_type = square
    +D = 1
    +L = 8
    +Beta = 10
    +[Parameter]
    +NPRE = 1000
    +NTHERM = 1000
    +NMCS = 1000
    +NSET = 10
    +SEED = 31415
    +NVERMAX = 10000000
    +algfile = algorithm.xml
    +latfile = lattice.xml
    +outfile = sample.log
    +
    +
    +

    入力ファイルでは, 4つの区分で大別されるパラメータを指定します. +keyword = parameter の形式で指定します.

    +
      +
    1. Systemセクション

    2. +
    +
    +

    solver をkeywordとして各種ソルバーを設定します. +ソルバーは DLAPMWA の2種類から選択することが可能です.

    +
    +
      +
    1. Hamiltonianセクション

    2. +
    +
    +

    系の種別 (スピンもしくはボソン系)とハミルトニアンを構成するパラメータを指定します.

    + +++++++ + + + + + + + + + + + + + + + + +

    Parameter

    Solver

    type

    default

    備考

    model_type

    共通

    str

    spin

    モデルのタイプは spin もしくは boson から選択します.

    +
      +
    • model_type = spin の場合

    • +
    + +++++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    Parameter

    Solver

    type

    default

    備考

    M

    DLA

    int

    1

    局在スピンの大きさ \(S\) の2倍に等しい整数.

    F

    DLA

    double

    0.0

    サイトにかかるボンドあたりの磁場 \(F=h/z\) . \(z\) はサイトの配位数で, 例えば正方格子なら \(z=4\) .

    J

    DLA

    double

    1.0

    交換相互作用. 正で強磁性, 負で反強磁性.

    Jxy

    PMWA

    double

    0.0

    交換相互作用 \(J_{xy}\) . 正で強磁性, 負で反強磁性.

    Jz

    PMWA

    double

    0.0

    交換相互作用 \(J_{z}\) . 正で強磁性, 負で反強磁性.

    h

    PMWA

    double

    0.0

    縦磁場 \(h\) . 正で強磁性, 負で反強磁性.

    Gamma

    PMWA

    double

    0.0

    横磁場 \(\Gamma\) . 正で強磁性, 負で反強磁性.

    +
      +
    • model_type = boson の場合

    • +
    + +++++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    Parameter

    Solver

    type

    default

    備考

    t

    共通

    double

    1.0

    粒子のホッピングパラメータ.

    U

    共通

    double

    0.0

    サイト内二体相互作用. 正が斥力.

    V

    共通

    double

    0.0

    最近接二体相互作用. 正が斥力.

    M

    DLA

    int

    1

    サイトあたりに占めることのできる粒子数の最大値.

    F

    DLA

    double

    0.0

    ボンドあたりの化学ポテンシャル \(F=\mu/z\) . \(z\) はサイトの配位数で, 例えば正方格子なら \(z=4\) .

    mu

    PMWA

    double

    0.0

    化学ポテンシャル.

    Gamma

    PMWA

    double

    0.0

    ソースターム( \(b_i^{\dagger}+b_i\) の係数).

    +

    ハミルトニアンを構成するパラメータの詳細については, +DSQSS/DLA については hamgen_B もしくは hamgen_H の入力ファイルの説明を, +DSQSS/PMWA では入力ファイルの説明をご覧ください.

    +
    +
      +
    1. Latticeセクション

    2. +
    +
    +

    格子形状と逆温度を指定するセクションです.

    + ++++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    Parameter

    type

    default

    備考

    lattice_type

    str

    square

    格子形状を超格子 square もしくは三角格子 triangular から選択します (格子形状の種類は順次追加予定). PMWA では square のみ選択可能です.

    D

    int

    格子の次元.

    L

    int

    格子のサイズ. , で区切って``D`` 次元空間のサイズを指定します. 例えば, 二次元 \(2 \times 4\) の格子の場合は L = 2, 4 として指定します.

    Beta

    double

    10.0

    逆温度

    NLdiv

    int

    1

    ( DSQSS/PMWA のみ使用): L で指定された格子の分割数(各次元について等分割します).

    NBdiv

    int

    1

    ( DSQSS/PMWA のみ使用): Beta の分割数.

    +

    各パラメータのより詳細な説明は, 対応する実行ファイルの説明をご覧ください.

    +
    +
      +
    1. Parameterセクション

    2. +
    +
    +

    計算条件を指定するセクションで, DSQSS/DLA および DSQSS/PMWA の入力ファイルと共通のキーワードを使用してパラメータを設定します. +定義可能なパラメータの詳細については各ソルバーの入力ファイルを参考にしてください.

    +
    +
    +
    +

    実行方法

    +

    入力ファイル作成後は以下のコマンドを入力することで, ソルバー用の入力ファイルが作成されます(以下では入力ファイル名を std.in としています).

    +
    $ dsqss_pre.py -i std.in
    +
    +
    +

    DSQSS/DLA の場合は, algorithm.xml, hamiltonian.xml, lattice.xml, param.in が出力されます. +DSQSS/PMWA の場合には, lattice.xml, param.in が出力されます. +ソルバーの実行方法は, dsqss_pre.py の標準出力の最後に

    +
    Please type: xxxxxx
    +
    +
    +

    として, xxxxxx に実行すべきコマンドが記載されます(例えば, DLA_H param.in). +MPIを利用する場合には, xxxxxx の前に mpirun -np 8 などをつけて実行してください。 +なお, DSQSSでは並列する乱数の数, PMWAでは並列する乱数の数と総分割数 (空間分割数と虚時間分割数の積)の積をプロセス数に指定します. +コマンドの実行結果の詳細については各ソルバーのチュートリアル・出力結果に記載してありますので, そちらを参照してください.

    +
    +
    +

    モンテカルロ計算の流れ

    +

    fig_nmcs にモンテカルロ計算の流れを示します。

    +
    +モンテカルロ計算の流れとパラメータの図解 +
    +

    モンテカルロ計算のおおまかな流れと各種回数パラメータの図解

    +
    +
    +

    DSQSS では, ワームヘッド対が生成されてから消滅するまでを 1 MCステップと呼び, +\(N_\text{cyc}\) MCステップをまとめて 1 MCスイープと呼びます. +(ワームヘッド対の生成そのものに失敗した場合も 1 MC ステップです.) +\(N_\text{cyc}\) の値ははじめの NPRE MC ステップで決定されます.

    +

    \(N_\text{cyc}\) が決まったら, 初期緩和フェーズとして NTHERM MC スイープのシミュレーションが行われ, +引き続き NMCS MC スイープのシミュレーションが物理量測定フェーズとして行われます.

    +

    ある物理量測定フェーズと次の物理量測定過程フェーズとの間には, +自己相関軽減フェーズとして NDECOR MC スイープのシミュレーションが行われます.

    +

    初期緩和フェーズと物理量測定フェーズ, あるいは自己相関軽減フェーズと物理量測定フェーズの2つのフェーズをあわせたものが +1 セット となり, +全体のシミュレーションは NSET 個のセットを含みます. +物理量の期待値 \(\langle Q \rangle\) と誤差 \(\sigma_Q\) は, +NSET 個のセットそれぞれから得られる物理量の平均および標準誤差として得られます.

    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/genindex.html b/manual/v2.0.5/jp/genindex.html new file mode 100644 index 00000000..7368a296 --- /dev/null +++ b/manual/v2.0.5/jp/genindex.html @@ -0,0 +1,113 @@ + + + + + + + 索引 — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + + +

    索引

    + +
    + +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/index.html b/manual/v2.0.5/jp/index.html new file mode 100644 index 00000000..cd3aba51 --- /dev/null +++ b/manual/v2.0.5/jp/index.html @@ -0,0 +1,243 @@ + + + + + + + + DSQSS – Discrete Space Quantum Systems Solver — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    DSQSS – Discrete Space Quantum Systems Solver

    +
    +
    +
    +

    Contents

    +
    + +
    +
    +
    +
    +

    Indices and tables

    + +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/objects.inv b/manual/v2.0.5/jp/objects.inv new file mode 100644 index 0000000000000000000000000000000000000000..22739229621c36f1f7f2c4aa99a69c9a1e18f02c GIT binary patch literal 1735 zcmV;&1~~a6AX9K?X>NERX>N99Zgg*Qc_4OWa&u{KZXhxWBOp+6Z)#;@bUGkJQ&Ce> z3L_v^WpZ_Ab7^j8AbM^=AQpLUL4VQ&$;8`#~3(Oh9lEh~Vp z5PXK-m%E5&7%7=7gMl2Gd@+ADpC7+?=>o3qWA7#Qj69*Qq$* zG+<7cHnOi*REsUVXchu$feGafc_dtgMb2UOUVCq=z4WpD{K(&{own{`?;+*=6T3}H zx{BS;*lTv0pTM`y+XXOdFTOcz%yssc5fKnLQ9; zG`+3{t{%i;?6PJ+)HNd$s%w!MChUI1-eU;Fmj_GWyx%(LY*jlC?uY_G(280KSv~ov zMJAvB@Vh6MHK(Ki^<)mS*D`i6BJNZD8*{9fHUn3Egs3qo`U% zrDPVfQzmAWc5j~q!abp$%<@d}Hu=M-&bJ#I{u+e%7E41CUs`mzR2?B>QZrJ{3rv{j ze(e#i-aq~H1b!1{;^uO?#A%AdXpNwyNhgtkEEVF@lecTtO>z=0|Bn~`-FmcpbRMs_ z=W5uyMZMY0iF-v)s%R|@(K#}^VIQ(Y+f3#|1G{^)JRSwb%=00=_AEDStyI?00B$ft zp&K7)f-TdH$kJbZ-KvM_+f+03N-G?|tx&ef*+0^e1Q*ty%M?ZF_K%(lpXc8R= z7`I6*$mY%k-G^FLY;_W)C)3w#>gnf`&f^AA3eCkF&%d&2sio1B7f(Qnz=apdH;`Ey zw1u6-((IZxsU*}+j4Vsn=5|V2RTs%E~=I=d$<8F*PdrdcQP=Od}Z2iI$X>HVRft##JZvE1cF}LuDvZqNiG~AYH?pl)gM$fS5`7AI^_|3)`?G zoxR`YFUYQR-q+e|t7AE6p<(ao`W(DvjiB>x(?43wO{pbKcT7W5jlnxWJX0bNK?{Hy zT&FuRN5l*1kIi3xzI-Xx3{u@OsfMI~X8)2dYIeaw4wCX^wSc6n71eMmB`JT?c2LQd z@}@qGtQ;ILj#fZQQFYW&m%%Y)g2C3oRjhYM(8>Zv#~kL;DrO`YQAQFfNys+x4LP8i zi8K9{*b}%b2ok4!Qw|3B`2z*#wt`#VE>ER$=|=2UM||iy%lA0TCMwIWT>kZfP;sXi z61Pgha2hu_<>SUAK16tA!vz)$k%ce)Ndf#m{k#eSD1lEdVR|+=9UdqKSp;caDjH`L ztULPq>t`GDLYO|=7BLd}oYuPW>9$JFLFFf;*~pkc)?_wQ$~4UMj4^*gxE9H&z7S@@%A9g{e3td&etwdlg*9-c!15tsGNh^y`Qc z*ZRWGbBAmaMP3VL6SJ4I-{BI7h*s&Km_=hKO zitOBrf<&G}7JhV%&JY0bzacWcwScy;M#l~zx=*NJ{01t`B!g+YkG59{V8)v1w9 dj*yI8ZV{SL7jUW->>kjbvzyci{{h7`-%6J$LZtuz literal 0 HcmV?d00001 diff --git a/manual/v2.0.5/jp/pmwa/tutorial/input_file.html b/manual/v2.0.5/jp/pmwa/tutorial/input_file.html new file mode 100644 index 00000000..d93a5f5f --- /dev/null +++ b/manual/v2.0.5/jp/pmwa/tutorial/input_file.html @@ -0,0 +1,294 @@ + + + + + + + + 6.1. DSQSS/PMWAの入力ファイル — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    6.1. DSQSS/PMWAの入力ファイル

    +

    DSQSS/DLAとDSQSS/PMWAの入力ファイルでは, 共通するパラメータが多く存在します. +ここではDSQSS/DLAと使用方法が異なる, もしくは新規に追加されたパラメータについて記載します.

    +
      +
    • 計算条件のパラメータ

    • +
    + ++++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    Parameter

    type

    default

    備考

    RUNTYPE

    int

    計算モード(0: 通常計算,1: リスタート計算)

    CB

    int

    0

    初期配置 (0: Vacuum,1: Checker-Board,2: Random)

    NSET

    int

    10

    モンテカルロ計算の繰り返し数

    NMCS

    int

    1000

    測定する際のモンテカルロステップ (Number of Monte Carlo Steps)

    NPRE

    int

    1000

    ハイパーパラメータ決定のためのモンテカルロステップ数 (Number of Pre-calculation)

    NTHERM

    int

    1000

    空回しモンテカルロステップ数 (Number of Monte Carlo Steps for Thermalization)

    NDECOR

    int

    1000

    測定間の間隔数 (Decorrelation)

    SEED

    int

    13

    0以上の場合は実際に使用するシード,負の場合は乱数でシードを与える.

    NVERMAX

    int

    100000000

    バーテックスの最大数,-1の場合は上限なし.

    NWORMAX

    int

    1000

    ワームの最大数,-1の場合は上限なし.

    SFINPFILE

    str

    入力された場合,本ファイルで指定されたStructure Factorsを計算する.

    SFOUTFILE

    str

    sf.out

    入力された場合,Structure Factorsを指定したファイルに出力する.

    Step_x

    int

    1

    相関関数を計算する場合の空間幅を与える.

    Step_k

    int

    1

    波数表示の相関関数を計算する場合の波数空間幅を与える.

    CFOUTFILE

    str

    cf.out

    入力された場合,相関関数を指定したファイルに出力する.

    +
      +
    • 模型関連のパラメータ

    • +
    + +++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    Parameter

    type

    備考

    beta

    double

    逆温度.

    t

    double

    ボソン系では \(t\) を, スピン系では \(J_{xy}\) を表す.

    U

    double

    ボソン系で \(U\) を表す. スピン系では使用されない.

    V

    double

    ボソン系で \(V\) を, スピン系では \(J_{z}\) を表す.

    MU

    double

    ボソン系では \(\mu\) を, スピン系では \(H\) を表す.

    G

    double

    ボソン系では \(\Gamma\) を, スピン系では \(\Gamma/2\) を表す.

    NMAX

    -

    1に固定

    +
      +
    • 格子関連のパラメータ

    • +
    +

    入力ファイル例を以下に示します.

    +
    RUNTYPE = 0
    +NSET  = 10
    +NMCS  = 1000
    +NPRE = 1000
    +NTHERM = 1000
    +NDECOR = 1000
    +SEED  = 31415
    +NC    = 0
    +NVERMAX = 10000000
    +NWORMAX = 1000
    +algfile   = algorithm.xml
    +latfile   = lattice.xml
    +outfile   = sample.log
    +CB      = 2
    +G       = 0.3
    +U       = 0
    +V       = 3
    +t       = 1
    +MU      = 2
    +NMAX    = 1
    +
    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/pmwa/tutorial/intro.html b/manual/v2.0.5/jp/pmwa/tutorial/intro.html new file mode 100644 index 00000000..7392e3b5 --- /dev/null +++ b/manual/v2.0.5/jp/pmwa/tutorial/intro.html @@ -0,0 +1,131 @@ + + + + + + + + 5.1. DSQSS/PMWAとは? — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    5.1. DSQSS/PMWAとは?

    +

    大規模並列計算向け非局所更新アルゴリズムを実装した世界線量子モンテカルロ法のパッケージ. +有限温度の大規模格子系を取り扱うことができ, +S=1/2量子多体系(XXZスピン模型,Heisenberg模型,横磁場Ising摸型などのスピン摸型やハードコア・ボース粒子系など)を統計誤差の範囲内で厳密に計算することができます. +基本的には任意の物理量が測定可能ですが,デフォルトではワームソース場有限の下でのエネルギー,縦磁化,横磁化, +ワインディングナンバーや,虚時間 \(S^zS^z\) スピン相関関数などを測定できます.

    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/pmwa/tutorial/lattgene.html b/manual/v2.0.5/jp/pmwa/tutorial/lattgene.html new file mode 100644 index 00000000..88d34843 --- /dev/null +++ b/manual/v2.0.5/jp/pmwa/tutorial/lattgene.html @@ -0,0 +1,185 @@ + + + + + + + + 5.2.1. 格子定義ファイルの作成 — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    5.2.1. 格子定義ファイルの作成

    +

    PMWAでは標準的な模型に対して格子定義ファイル lattice.xml を生成するための簡易ツールとして +lattgene_P を用意しています.ここでは lattgene_P の使用方法について説明します.

    +

    lattgene_P ではcubic latticeに関する格子定義ファイルを作成することが出来ます. +指定するパラメータは下記の通りです.

    + +++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    Parameter

    type

    備考

    D

    int

    次元数

    L

    int

    格子のサイズ(各次元について連続で指定します)

    B

    double

    逆温度

    NLdiv

    int

    Lの分割数 (各次元についてそれぞれ NLdiv分割します)

    NBdiv

    int

    Bの分割数

    NFIELD

    int

    磁場の種類の数(基本的には0に設定)

    +

    使用例を以下に記載します.

    +
      +
    1. 1次元8サイト, 逆温度10.0, 分割数は1の場合の格子ファイルを定義

      +

      $ lattgene_P 1 8 10.0 1 1 0

      +
    2. +
    3. 2次元4*4サイト, 逆温度10.0, 分割数は1の場合の格子ファイルを定義

      +

      $ lattgene_P 2 4 4 10.0 1 1 0

      +
    4. +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/pmwa/tutorial/model.html b/manual/v2.0.5/jp/pmwa/tutorial/model.html new file mode 100644 index 00000000..cfe9a5d4 --- /dev/null +++ b/manual/v2.0.5/jp/pmwa/tutorial/model.html @@ -0,0 +1,292 @@ + + + + + + + + 5.2.2. DSQSS/PMWAの入力ファイルの作成 — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    5.2.2. DSQSS/PMWAの入力ファイルの作成

    +

    PMWAを実行するには,テキスト形式の入力ファイルが必要です. +入力ファイルでは計算条件を指定するパラメータと +ハミルトニアンを指定するパラメータの二種類があります.

    +

    以下, 入力ファイル例を記載します

    +
    RUNTYPE = 0
    +NSET   = 10
    +NMCS   = 10000
    +NPRE   = 10000
    +NTHERM = 10000
    +NDECOR = 10000
    +SEED  = 31415
    +NC    = 0
    +NVERMAX = 10000000
    +NWORMAX = 1000
    +latfile   = lattice.xml
    +outfile   = sample.log
    +CB      = 2
    +G       = 0.3
    +U       = 0
    +V       = 3
    +t       = 1
    +MU      = 2
    +NMAX    = 1
    +
    +
    +

    各パラメータの意味は下記の通りです.

    +
      +
    • 計算条件のパラメータ

      + +++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

      Parameter

      type

      備考

      RUNTYPE

      int

      計算モード(0: 通常計算,1: リスタート計算)

      CB

      int

      初期配置 (0: Vacuum,1: Checker-Board,2: Random)

      NSET

      int

      モンテカルロ計算の繰り返し数

      NMCS

      int

      物理量計算に用いるモンテカルロスイープ数

      NPRE

      int

      1スイープあたりのワーム生成試行回数を決めるための事前計算につかうモンテカルロステップ数

      NMCSE

      int

      初期緩和に用いるモンテカルロスイープ数

      NMCSD

      int

      測定間のモンテカルロスイープ数

      SEED

      int

      0以上の場合は実際に使用するシード,負の場合は乱数でシードを与える.

      NVERMAX

      int

      バーテックスの最大数 (デフォルト数 \(10^8\) ),-1の場合は上限なし.

      NWORMAX

      int

      ワームの最大数 (デフォルト数 \(10^3\) ),-1の場合は上限なし.

      SFINPFILE

      str

      入力された場合,本ファイルで指定されたStructure Factorsを計算する.

      SFOUTFILE

      str

      入力された場合,Structure Factorsを指定したファイルに出力する(デフォルトはsf.out).

      Step_x

      int

      相関関数を計算する場合の空間幅を与える(デフォルト:1).

      Step_k

      int

      波数表示の相関関数を計算する場合の波数空間幅を与える(デフォルト:1).

      CFOUTFILE

      str

      入力された場合,相関関数を指定したファイルに出力する(デフォルトはcf.out).

      +
    • +
    +

    ここで,NVERMAX,NWORMAXについては自動でリサイズして決定します.

    +
      +
    • 相互作用関連のパラメータ

    • +
    +

    PMWAではハードコアボソン系(サイトに最大1つのボソン)とS=1/2のXXZ模型について計算可能です.ハードコアボソン系のハミルトニアンは

    +
    +\[\begin{split}{\cal H} &= -t_{b} \sum_{\langle i, j\rangle}b_i^{\dagger} b_j + U_{BB}\sum_i n_i(n_i -1) ++V_{B1}\sum_{\langle i, j\rangle} n_i n_j \\ +&+\mu\sum_i n_i-\Gamma\sum_i(b_i^{\dagger}+b_i),\end{split}\]
    +

    で与えられます.ここで \(\langle i,j \rangle\) は最近接のペアを表します. +S=1/2のXXZ模型は

    +
    +\[{\cal H}^{XXZ} = -J_{xy} \sum_{\langle i, j\rangle}(S_i^x S_j^x + S_i^y S_j^y)-J_z\sum_{\langle i, j\rangle}S_i^zS_j^z-H \sum_{i}S_{i}^z -\Gamma \sum_i S_i^x,\]
    +

    で与えられます. +入力ファイルで指定するパラメータと上記式のパラメータは以下のように対応しています.

    +
    +
    +++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

    Parameter

    Boson

    Spin

    t

    \(t_b\)

    \(J_{xy}\)

    U

    \(U_{BB}\)

    -

    V

    \(V_{B1}\)

    \(J_{z}\)

    MU

    \(\mu\)

    \(H\)

    G

    \(\Gamma\)

    \(\Gamma/2\)

    +
    +

    各パラメータはdouble型で指定します.

    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/pmwa/tutorial/output.html b/manual/v2.0.5/jp/pmwa/tutorial/output.html new file mode 100644 index 00000000..2b84b9b1 --- /dev/null +++ b/manual/v2.0.5/jp/pmwa/tutorial/output.html @@ -0,0 +1,319 @@ + + + + + + + + 5.2.3. 計算実行 — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    5.2.3. 計算実行

    +

    入力ファイル作成後,以下のコマンドを入力することで実行できます(入力ファイルは param.in としています). +スピン系とハードコアボソン系に応じて,

    +

    それぞれ実行ファイルが異なります.

    +
      +
    1. スピン系の場合

    2. +
    +
    +

    $pmwa_H param.in

    +
    +
      +
    1. ハードコアボソンの場合

    2. +
    +
    +

    $pmwa_B param.in

    +
    +

    計算終了後,結果ファイル1つとリスタート用の一時ファイル2つ(evout_sample.log, RND_evout_sample.log)が出力されます.

    +
    +
    +

    5.2.4. 出力ファイル

    +

    ここでは結果ファイル1つとリスタート用の一時ファイル2つについて, +PMWAに特有のパラメータをそれぞれ記載します.

    +
      +
    • 結果ファイル

      + +++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

      Kind

      Name

      Description

      P

      L

      三次元の格子情報

      P

      DOML

      並列化により分割されたドメインの大きさ

      P

      DOMBETA

      並列化により分割された逆温度のドメインサイズ

      P

      NDIVL

      格子の分割数

      P

      NTEST

      テストをするサンプルの数(詳細はモンテカルロ計算の箇所で説明)

      R

      nver

      キンクとワームの数

      R

      nkin

      キンクの数

      R

      wndx

      x方向のワインディング数の二乗の期待値

      R

      wndy

      y方向のワインディング数の二乗の期待値

      R

      wndz

      z方向のワインディング数の二乗の期待値

      R

      wnd2

      ワインディング数の二乗の総数(wndx+wndy+wndz)

      R

      bmxu

      \(S_x\) の期待値 (uniform \(\tau\) 積分)

      R

      bmpu

      \(S_+\) の期待値 (uniform \(\tau\) 積分)

      R

      bmmu

      \(S_-\) の期待値 (uniform \(\tau\) 積分)

      R

      comp

      圧縮率

      R

      lxmx

      各サイトの局所的なワーム数の揺らぎ

      I

      the maximum number of vertices

      バーテックスの最大数

      I

      the maximum number of worms

      ワームの最大数

      +

      ここで種別は出力の各行の先頭に付与される文字で, P, R, I はそれぞれParameter, Result, Informationを示します.

      +
    • +
    • リスタート用のファイル

      +

      PMWAではリスタート機能が実装されており,下記の2ファイルが存在する場合には強制的にリスタートが行われます. +以下,各ファイルの出力内容について簡単に説明します.

      +
        +
      1. evout_sample.log

      2. +
      +

      計算終了時のサイクル数,ワールドラインの情報,バーテックスの情報について出力したファイル. +再計算時には読み込んだ配置を始条件として計算が行われます.

      +
      26 : 計算終了時のサイクル数
      +0 1 : ドメイン内のサイト0のワールドラインの情報
      +i/N beta, (i+1)/N beta 区間のワールドラインの情報 : 0: down, 1: up
      +0 0 : ドメイン内のサイト1のワールドラインの情報
      +1 1  :ドメイン内のサイト2のワールドラインの情報
      +...
      +8 0.056997107 2 1 4 :バーテックスのラベル, tau, バーテックスの種類 , ワールドラインの本数, ボンド番号
      +9 0.056997107 2 0 5
      +44 0.28066013 2 1 3
      +
      +
      +

      ここでバーテックスの種類については以下のものが定義されています.

      + ++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

      バーテックスの種類

      説明

      -5

      各ドメインにおける虚時間方向の始点及び終点.ドメイン分割しなくても有効.

      -4(右), -2(左)

      ドメインをまたぐ対角的バーテックス.ドメイン分割しなくても有効.

      -3(右), -1(左)

      ドメインをまたぐ非対角的バーテックス(キンク).ドメイン分割しなくても有効.

      0

      オンサイトバーテックス(ワーム以外).

      1

      2サイトバーテックス.

      2

      キンク.

      3

      2サイトバーテックス(次近接)(互換性のために残してあります).

      4

      その時動いているワーム(消滅演算子).

      5

      その時動いているワーム(生成演算子).

      6

      その時止まっているワーム(生成消滅関係なし),もしくは不要なバーテックス.

      7

      マーカー(虚時間相関関数測定用).

      +
        +
      1. RNDevout_sample.log

      2. +
      +

      乱数生成を行っているオブジェクトをバイナリ形式で出力したファイル. +再計算時には読み込んだ乱数情報を始条件として計算が行われます.

      +
    • +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/pmwa/tutorial/output_file.html b/manual/v2.0.5/jp/pmwa/tutorial/output_file.html new file mode 100644 index 00000000..a1caf3e9 --- /dev/null +++ b/manual/v2.0.5/jp/pmwa/tutorial/output_file.html @@ -0,0 +1,291 @@ + + + + + + + + 6.2. DSQSS/PMWAの出力ファイル — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    6.2. DSQSS/PMWAの出力ファイル

    +

    PMWAでは計算後,結果ファイル1つとリスタート用の一時ファイル2つ(evout_sample.log, RND_evout_sample.log)を出力します.

    +
      +
    • 結果ファイル

      +

      多くのパラメータはDLAと同じです.ここではPMWAに特有もしくはDLAと異なったパラメータについて記載します.

      + +++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

      Kind

      Name

      Description

      P

      L

      三次元の格子情報

      P

      DOML

      並列化により分割されたドメインの大きさ

      P

      DOMBETA

      並列化により分割された逆温度のドメインサイズ

      P

      NDIVL

      格子の分割数

      P

      NTEST

      テストをするサンプルの数(詳細はモンテカルロ計算の箇所で説明)

      R

      nver

      キンクとワームの数

      R

      nkin

      キンクの数

      R

      wndx

      x方向のワインディング数の二乗の期待値

      R

      wndy

      y方向のワインディング数の二乗の期待値

      R

      wndz

      z方向のワインディング数の二乗の期待値

      R

      wnd2

      ワインディング数の二乗の総数(wndx+wndy+wndz)

      R

      bmxu

      \(S_x\) の期待値 (uniform \(\tau\) 積分)

      R

      bmpu

      \(S_+\) の期待値 (uniform \(\tau\) 積分)

      R

      bmmu

      \(S_-\) の期待値 (uniform \(\tau\) 積分)

      R

      comp

      圧縮率

      R

      lxmx

      各サイトの局所的なワーム数の揺らぎ

      I

      the maximum number of vertices

      バーテックスの最大数

      I

      the maximum number of worms

      ワームの最大数

      +

      ここで種別は出力の各行の先頭に付与される文字で,P, R, IはそれぞれParameter, Result, Informationを示します.

      +
    • +
    • リスタート用のファイル

      +

      PMWAではリスタート機能が実装されており,下記の2ファイルが存在する場合には強制的にリスタートが行われます. +以下,各ファイルの出力内容について簡単に説明します.

      +
        +
      1. evout_sample.log

      2. +
      +

      計算終了時のサイクル数,ワールドラインの情報,バーテックスの情報について出力したファイル. +再計算時には読み込んだ配置を始条件として計算が行われます.

      +
      26 : 計算終了時のサイクル数
      +0 1 : ドメイン内のサイト0のワールドラインの情報
      +i/N beta, (i+1)/N beta 区間のワールドラインの情報;0: down, 1: up
      +0 0:ドメイン内のサイト1のワールドラインの情報
      +1 1:ドメイン内のサイト2のワールドラインの情報
      +...
      +8 0.056997107 2 1 4 :バーテックスのラベル, tau, バーテックスの種類 , ワールドラインの本数, ボンド番号
      +9 0.056997107 2 0 5
      +44 0.28066013 2 1 3
      +
      +
      +

      ここでバーテックスの種類については以下のものが定義されています.

      + ++++ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +

      バーテックスの種類

      説明

      -5

      各ドメインにおける虚時間方向の始点及び終点(ドメイン分割しなくても有効)

      -2(左) , -4(右)

      ドメインをまたぐ対角的バーテックス(ドメイン分割しなくても有効)

      -1(左) , -3(右)

      ドメインをまたぐ非対角的バーテックス(キンク)(ドメイン分割しなくても有効)

      0

      オンサイトバーテックス(ワーム以外)

      1

      2サイトバーテックス

      2

      キンク

      3

      2サイトバーテックス(次近接)(互換性のために残してあります)

      4

      その時動いているワーム(消滅演算子(このワームより \(\tau\) が小さい側の方がワールドラインの本数が多い))

      5

      その時動いているワーム(生成演算子(このワームより \(\tau\) が大きい側の方がワールドラインの本数が多い))

      6

      その時止まっているワーム(生成消滅関係なし,双方向リストには繋がっている),もしくはいらなくなった(双方向リストに繋がっていない)バーテックス

      7

      マーカー (虚時間相関関数測定用)

      +
        +
      1. RNDevout_sample.log

      2. +
      +

      乱数生成を行っているオブジェクトをバイナリ形式で出力したファイル. +再計算時には読み込んだ乱数情報を始条件として計算が行われます.

      +
    • +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/pmwa/tutorial/sample_Heisenberg.html b/manual/v2.0.5/jp/pmwa/tutorial/sample_Heisenberg.html new file mode 100644 index 00000000..9b296751 --- /dev/null +++ b/manual/v2.0.5/jp/pmwa/tutorial/sample_Heisenberg.html @@ -0,0 +1,202 @@ + + + + + + + + 5.3. DSQSS/PMWAによるスピン鎖のエネルギー計算 — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    5.3. DSQSS/PMWAによるスピン鎖のエネルギー計算

    +

    このチュートリアルでは, S=1/2の反強磁性ハイゼンベルグ鎖の基底状態エネルギー計算をすることで、DSQSS/PMWAの使い方を学びます.

    +

    DSQSS/PMWAによる計算は,

    +
      +
    1. 入力ファイルの準備

    2. +
    3. 計算の実行

    4. +
    5. 計算結果の解釈

    6. +
    +

    の3段階に分かれます.

    +
    +

    5.3.1. 入力ファイルの準備

    +

    DSQSS/PMWAを実行するには,

    +
      +
    1. 格子定義ファイル

    2. +
    3. パラメータファイル

    4. +
    +

    の2つの入力ファイルが必要です. +そのため, まずはこれらの入力ファイルを作成します. +そのためのユーティリティツールが pmwa_pre です. +これは単一の入力ファイルから, DSQSS/PMWA の入力ファイルを生成するPython スクリプトです. +まず, pmwa_pre の入力ファイルとして, 次の内容を持つテキストファイル std.in を準備します.

    +
    [System]
    +solver = PMWA
    +[Hamiltonian]
    +model_type = spin
    +Jxy = -1.0
    +Jz = -1.0
    +Gamma = 0.1
    +[Lattice]
    +lattice_type = square
    +D = 1
    +L = 16
    +Beta = 100
    +[Parameter]
    +CB = 1
    +SEED = 31415
    +NSET = 10
    +NMCS = 100
    +NPRE = 100
    +NTHERM = 100
    +NDECOR = 100
    +
    +
    +

    自分の好きなエディタで書くか, sample/pmwa/1DDimer ディレクトリにあるものを利用してください. +このファイルを pmwa_pre に与えます.

    +
    $ pmwa_pre std.in
    +
    +
    +

    この結果, パラメータファイル param.in, 格子定義ファイル lattice.xmlが作成されます.

    +
    +
    +

    5.3.2. 計算の実行

    +

    入力ファイルを作成したら, DSQSS/PMWA による計算を実行します.

    +
    $ pmwa_H param.in
    +
    +
    +

    なお, 計算を実行するときにMPI を用いることで, 乱数並列計算が可能です(入力ファイルの指定により空間分割, 虚時間方向の分割を行うこともできます. 詳細はDLAのユーザーマニュアルをご覧ください).

    +
    $ mpiexec -np 4 pmwa_H param.in
    +
    +
    +

    並列数 (今回は4) だけ独立に計算を行い, モンテカルロサンプル数を増やすことで計算精度を向上できます.

    +
    +
    +

    5.3.3. 計算結果の解釈

    +

    計算結果は出力ファイル sample.log に書き出されます. +エネルギーは

    +
    $ grep ene sample.log
    +R ene  = -0.5705441 0.0003774399737579577
    +
    +
    +

    となります. なお, DSQSS/PMWAの場合は横磁場を必ず入れる必要があります. +そのため, ゼロ磁場にするには外挿する必要があるので, ご注意ください.

    +
    +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/pmwa/tutorial/tu-index.html b/manual/v2.0.5/jp/pmwa/tutorial/tu-index.html new file mode 100644 index 00000000..67103f36 --- /dev/null +++ b/manual/v2.0.5/jp/pmwa/tutorial/tu-index.html @@ -0,0 +1,128 @@ + + + + + + + + 6. DSQSS/PMWAのユーザーマニュアル — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    6. DSQSS/PMWAのユーザーマニュアル

    + +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/pmwa/tutorial/tutorial.html b/manual/v2.0.5/jp/pmwa/tutorial/tutorial.html new file mode 100644 index 00000000..faf364f4 --- /dev/null +++ b/manual/v2.0.5/jp/pmwa/tutorial/tutorial.html @@ -0,0 +1,141 @@ + + + + + + + + 5. DSQSS/PMWAのチュートリアル — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + + + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/pmwa/tutorial/usage.html b/manual/v2.0.5/jp/pmwa/tutorial/usage.html new file mode 100644 index 00000000..60caf669 --- /dev/null +++ b/manual/v2.0.5/jp/pmwa/tutorial/usage.html @@ -0,0 +1,148 @@ + + + + + + + + 5.2. 使用方法 — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +
    +

    5.2. 使用方法

    +

    PMWAは以下の手順で使用します。

    +
      +
    1. 格子定義ファイルの作成 (lattgene_P を利用)

    2. +
    3. 入力ファイルの作成

    4. +
    5. PMWAの実行 (ボソン系:pmwa_B ,スピン系:pmwa_H の実行)

    6. +
    7. 出力ファイルの生成

    8. +
    +

    また,1, 2を同時に行うための簡易ツール pmwa_pre.py も用意されています。 +ここでは1-4について使用方法やパラメータについて順に説明します。

    + +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/search.html b/manual/v2.0.5/jp/search.html new file mode 100644 index 00000000..54849210 --- /dev/null +++ b/manual/v2.0.5/jp/search.html @@ -0,0 +1,131 @@ + + + + + + + 検索 — DSQSS 2.0.5 ドキュメント + + + + + + + + + + + + + + + + + + + + + + + +
    +
    +
    + + +
    + +

    検索

    + + + + +

    + 複数の単語を検索すると、次を含む一致のみが表示されます +     すべての用語。 +

    + + +
    + + + +
    + + + +
    + +
    + + +
    + +
    +
    + +
    +
    + + + + + + + \ No newline at end of file diff --git a/manual/v2.0.5/jp/searchindex.js b/manual/v2.0.5/jp/searchindex.js new file mode 100644 index 00000000..a6e90930 --- /dev/null +++ b/manual/v2.0.5/jp/searchindex.js @@ -0,0 +1 @@ +Search.setIndex({"docnames": ["dla/tutorial/bosesquare", "dla/tutorial/index", "dla/tutorial/intro", "dla/tutorial/spinchain", "dla/tutorial/spindimer", "dla/tutorial/standard_mode", "dla/users-manual/engine", "dla/users-manual/generator", "dla/users-manual/index", "dla/users-manual/input_expert", "dla/users-manual/input_simple", "dla/users-manual/input_standard", "dla/users-manual/output", "dsqss/about_dsqss", "dsqss/algorithm", "dsqss/index", "dsqss/install", "dsqss/usage", "index", "pmwa/tutorial/input_file", "pmwa/tutorial/intro", "pmwa/tutorial/lattgene", "pmwa/tutorial/model", "pmwa/tutorial/output", "pmwa/tutorial/output_file", "pmwa/tutorial/sample_Heisenberg", "pmwa/tutorial/tu-index", "pmwa/tutorial/tutorial", "pmwa/tutorial/usage"], "filenames": ["dla/tutorial/bosesquare.rst", "dla/tutorial/index.rst", "dla/tutorial/intro.rst", "dla/tutorial/spinchain.rst", "dla/tutorial/spindimer.rst", "dla/tutorial/standard_mode.rst", "dla/users-manual/engine.rst", "dla/users-manual/generator.rst", "dla/users-manual/index.rst", "dla/users-manual/input_expert.rst", "dla/users-manual/input_simple.rst", "dla/users-manual/input_standard.rst", "dla/users-manual/output.rst", "dsqss/about_dsqss.rst", "dsqss/algorithm.rst", "dsqss/index.rst", "dsqss/install.rst", "dsqss/usage.rst", "index.rst", "pmwa/tutorial/input_file.rst", "pmwa/tutorial/intro.rst", "pmwa/tutorial/lattgene.rst", "pmwa/tutorial/model.rst", "pmwa/tutorial/output.rst", "pmwa/tutorial/output_file.rst", "pmwa/tutorial/sample_Heisenberg.rst", "pmwa/tutorial/tu-index.rst", "pmwa/tutorial/tutorial.rst", "pmwa/tutorial/usage.rst"], "titles": ["3.4. DSQSS/DLA \u306b\u3088\u308b\u6b63\u65b9\u683c\u5b50\u4e0a\u30cf\u30fc\u30c9\u30b3\u30a2\u30dc\u30bd\u30f3\u7cfb\u306e\u7c92\u5b50\u6570\u8a08\u7b97", "3. DLA\u306e\u30c1\u30e5\u30fc\u30c8\u30ea\u30a2\u30eb", "3.1. DSQSS/DLA \u3068\u306f", "3.3. DSQSS/DLA \u306b\u3088\u308b\u30b9\u30d4\u30f3\u9396\u306e\u5e2f\u78c1\u7387\u8a08\u7b97", "3.2. DSQSS/DLA \u306b\u3088\u308b\u53cd\u5f37\u78c1\u6027\u30cf\u30a4\u30bc\u30f3\u30d9\u30eb\u30b0\u30c0\u30a4\u30de\u30fc\u306e\u30a8\u30cd\u30eb\u30ae\u30fc\u8a08\u7b97", "DSQSS/DLA \u306e\u30b9\u30bf\u30f3\u30c0\u30fc\u30c9\u30e2\u30fc\u30c9\u306b\u3088\u308b\u53cd\u5f37\u78c1\u6027\u30cf\u30a4\u30bc\u30f3\u30d9\u30eb\u30b0\u30c0\u30a4\u30de\u30fc\u306e\u6a21\u578b\u3084\u683c\u5b50\u306e\u5b9a\u7fa9", "4.5. \u5411\u304d\u4ed8\u304d\u30eb\u30fc\u30d7\u30a2\u30eb\u30b4\u30ea\u30ba\u30e0\u30bd\u30eb\u30d0 dla", "4.4. DLA \u306e\u5165\u529b\u30d5\u30a1\u30a4\u30eb\u751f\u6210\u30c4\u30fc\u30eb", "4. 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