From cb14a7b3e1b2cc1d27c1005510567e69befff539 Mon Sep 17 00:00:00 2001
From: Sarath <sarathmenon@mailbox.org>
Date: Mon, 19 Aug 2024 11:34:07 +0200
Subject: [PATCH 1/2] add possibility to add repetitions for reading in data

---
 atomrdf/structure.py | 6 ++++++
 1 file changed, 6 insertions(+)

diff --git a/atomrdf/structure.py b/atomrdf/structure.py
index fd2af22..535ab35 100644
--- a/atomrdf/structure.py
+++ b/atomrdf/structure.py
@@ -738,6 +738,7 @@ def _read_structure(
     basis_box=None,
     basis_positions=None,
     label=None,
+    repetitions=None,
 ):
     """
     Read in structure from file or ase object
@@ -773,6 +774,9 @@ def _read_structure(
 
     basis_positions: nX3 list, optional
         specify the relative positions of atoms in the unit cell. Not required if lattice is provided
+    
+    repetitions: tuple, optional
+        specify the number of repetitions of the unit cell in each direction. Default is None.
 
     Returns
     -------
@@ -789,6 +793,8 @@ def _read_structure(
         datadict["box"] = basis_box
     if basis_positions is not None:
         datadict["positions"] = basis_positions
+    if repetitions is not None:
+        datadict["repetitions"] = repetitions
 
     s = System(
         filename,

From 7fd70291af60e855185b5c8360541ac05caf66d3 Mon Sep 17 00:00:00 2001
From: Sarath <sarathmenon@mailbox.org>
Date: Mon, 19 Aug 2024 11:34:31 +0200
Subject: [PATCH 2/2] =?UTF-8?q?Bump=20version:=200.9.14=20=E2=86=92=200.9.?=
 =?UTF-8?q?15?=
MIME-Version: 1.0
Content-Type: text/plain; charset=UTF-8
Content-Transfer-Encoding: 8bit

---
 .bumpversion.cfg | 2 +-
 CITATION.cff     | 2 +-
 setup.py         | 2 +-
 3 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/.bumpversion.cfg b/.bumpversion.cfg
index c1d3d02..5afe656 100644
--- a/.bumpversion.cfg
+++ b/.bumpversion.cfg
@@ -1,5 +1,5 @@
 [bumpversion]
-current_version = 0.9.14
+current_version = 0.9.15
 commit = True
 tag = False
 
diff --git a/CITATION.cff b/CITATION.cff
index c6b841d..57a3a41 100644
--- a/CITATION.cff
+++ b/CITATION.cff
@@ -19,4 +19,4 @@ url: 'https://atomrdf.pyscal.org'
 license: "MIT"
 repository-code: https://github.com/pyscal/atomRDF
 type: software
-version: 0.9.14
+version: 0.9.15
diff --git a/setup.py b/setup.py
index d66cfde..1495b92 100644
--- a/setup.py
+++ b/setup.py
@@ -6,7 +6,7 @@
 
 setup(
     name='atomrdf',
-    version='0.9.14',
+    version='0.9.15',
     author='Abril Azocar Guzman, Sarath Menon',
     author_email='sarath.menon@pyscal.org',
     description='Ontology based structural manipulation and quering',