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bigger test for range-limited rnlij
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@evaleev
evaleev committed Dec 16, 2024
1 parent d0f0227 commit 96f3563
Showing 1 changed file with 85 additions and 34 deletions.
119 changes: 85 additions & 34 deletions src/madness/mra/test_sepop.cc
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Original file line number Diff line number Diff line change
Expand Up @@ -3858,45 +3858,94 @@ namespace madness {
double err;
const auto err_tolerance = 1e-13;
{
const int alog10s[] = {0};
const int ns[] = {0, 1};
const int ls[] = {-1, 0, 1};
const int alog10s[] = {0, 2};
const int ns[] = {0, 1, 2};
const int ls[] = {-4, -3, -2, -1, 0, 1, 2, 3, 4};
const int kmax = 2;
const int D = 1;

const double exact_tr_values
[sizeof(alog10s) / sizeof(int)][sizeof(ns) / sizeof(int)]
[sizeof(ls) / sizeof(int)][kmax + 1][kmax + 1] = {
{{{{0.06239914704001694, -0.07295744403619789,
0.0369357677412754},
{0.07295744403619789, -0.08048503031516791,
0.03190461853341899},
{0.0369357677412754, -0.03190461853341899,
-0.003852872191759357}},
{{0.3957015837330126, 0, -0.07387153548255079},
{0, 0.1760059389991514, 0},
{-0.07387153548255079, 0, 0.03137919753706641}},
{{0.06239914704001694, 0.07295744403619789,
0.0369357677412754},
{-0.07295744403619789, -0.08048503031516791,
-0.03190461853341899},
{0.0369357677412754, 0.03190461853341899,
-0.003852872191759357}}},
{{{0.1247982940800339, -0.07567279010025063,
0.002406686110882992},
{0.07567279010025063, -0.007347125872983151,
-0.02977841036946986},
{0.002406686110882992, 0.02977841036946986,
-0.002836223356072624}},
{{0.2709032896529788, 0, -0.004813372221765983},
{0, 0.01091766074249585, 0},
{-0.004813372221765983, 0, 0.0002690098419760488}},
{{0.1247982940800339, 0.07567279010025063,
0.002406686110882992},
{-0.07567279010025063, -0.007347125872983151,
0.02977841036946986},
{0.002406686110882992, -0.02977841036946986,
-0.002836223356072624}}}}};
[sizeof(ls) / sizeof(int)][kmax + 1][kmax + 1] = {{{{{0,0,0},{0,0,0},{0,0,0}},{{0,0,0},{0,0,0},{0,0,0}},
{{0,0,0},{0,0,0},{0,0,0}},
{{0.06239914704001694,-0.07295744403619789,0.0369357677412754},
{0.07295744403619789,-0.08048503031516791,0.03190461853341899},
{0.0369357677412754,-0.03190461853341899,-0.003852872191759357}},
{{0.3957015837330126,0,-0.07387153548255079},{0,0.1760059389991514,0},
{-0.07387153548255079,0,0.03137919753706641}},
{{0.06239914704001694,0.07295744403619789,0.0369357677412754},
{-0.07295744403619789,-0.08048503031516791,-0.03190461853341899},
{0.0369357677412754,0.03190461853341899,-0.003852872191759357}},
{{0,0,0},{0,0,0},{0,0,0}},{{0,0,0},{0,0,0},{0,0,0}},
{{0,0,0},{0,0,0},{0,0,0}}},
{{{0,0,0},{0,0,0},{0,0,0}},{{0,0,0},{0,0,0},{0,0,0}},
{{0,0,0},{0,0,0},{0,0,0}},
{{0.1247982940800339,-0.07567279010025063,0.002406686110882992},
{0.07567279010025063,-0.007347125872983151,-0.02977841036946986},
{0.002406686110882992,0.02977841036946986,-0.002836223356072624}},
{{0.2709032896529788,0,-0.004813372221765983},{0,0.01091766074249585,0},
{-0.004813372221765983,0,0.0002690098419760488}},
{{0.1247982940800339,0.07567279010025063,0.002406686110882992},
{-0.07567279010025063,-0.007347125872983151,0.02977841036946986},
{0.002406686110882992,-0.02977841036946986,-0.002836223356072624}},
{{0,0,0},{0,0,0},{0,0,0}},{{0,0,0},{0,0,0},{0,0,0}},
{{0,0,0},{0,0,0},{0,0,0}}},
{{{0,0,0},{0,0,0},{0,0,0}},{{0,0,0},{0,0,0},{0,0,0}},
{{0.05914480661826465,-0.0352961498075315,0.0008511266384317965},
{0.0352961498075315,-0.002370553564141238,-0.01432084200059843},
{0.0008511266384317965,0.01432084200059843,-0.0006699147777973966}},
{{0.1313069749235385,-0.004668508830198368,-0.0005298213407802086},
{0.004668508830198368,0.001188374184419877,-0.00006241841553979117},
{-0.0005298213407802086,0.00006241841553979117,6.392819570634216e-6}},
{{0.1395963147294403,0,-0.0006426105953031759},{0,0.001442060388883122,0},
{-0.0006426105953031759,0,8.980617332941763e-6}},
{{0.1313069749235385,0.004668508830198368,-0.0005298213407802086},
{-0.004668508830198368,0.001188374184419877,0.00006241841553979117},
{-0.0005298213407802086,-0.00006241841553979117,6.392819570634216e-6}},
{{0.05914480661826465,0.0352961498075315,0.0008511266384317965},
{-0.0352961498075315,-0.002370553564141238,0.01432084200059843},
{0.0008511266384317965,-0.01432084200059843,-0.0006699147777973966}},
{{0,0,0},{0,0,0},{0,0,0}},{{0,0,0},{0,0,0},{0,0,0}}}},
{{{{0,0,0},{0,0,0},{0,0,0}},{{0,0,0},{0,0,0},{0,0,0}},
{{0,0,0},{0,0,0},{0,0,0}},
{{0.02820947917699604,-0.04453012417103717,0.04756936948027392},
{0.04453012417103717,-0.07019262711553054,0.0747499664442194},
{0.04756936948027392,-0.0747499664442194,0.07906098685098572}},
{{0.94358104164447,0,-0.0951387389605478},{0,0.8318715041031744,0},
{-0.0951387389605478,0,0.723479401312235}},
{{0.02820947917699604,0.04453012417103717,0.04756936948027392},
{-0.04453012417103717,-0.07019262711553054,-0.0747499664442194},
{0.04756936948027392,0.0747499664442194,0.07906098685098572}},
{{0,0,0},{0,0,0},{0,0,0}},{{0,0,0},{0,0,0},{0,0,0}},
{{0,0,0},{0,0,0},{0,0,0}}},
{{{0,0,0},{0,0,0},{0,0,0}},{{0,0,0},{0,0,0},{0,0,0}},
{{0,0,0},{0,0,0},{0,0,0}},
{{0.05641895835399209,-0.08039999430492184,0.06916711686405792},
{0.08039999430492184,-0.113770391733522,0.0962281120412795},
{0.06916711686405792,-0.0962281120412795,0.07801595248299861}},
{{0.8871620832904784,0,-0.1383342337281158},{0,0.6705132832080146,0},
{-0.1383342337281158,0,0.4787790951354259}},
{{0.05641895835399209,0.08039999430492184,0.06916711686405792},
{-0.08039999430492184,-0.113770391733522,-0.0962281120412795},
{0.06916711686405792,0.0962281120412795,0.07801595248299861}},
{{0,0,0},{0,0,0},{0,0,0}},{{0,0,0},{0,0,0},{0,0,0}},
{{0,0,0},{0,0,0},{0,0,0}}},
{{{0,0,0},{0,0,0},{0,0,0}},{{0,0,0},{0,0,0},{0,0,0}},
{{0.00001435241351443475,-0.00002152375883897738,0.00002083312096219267},
{0.00002152375883897738,-0.00003224468529552152,0.00003114338849154711},
{0.00002083312096219267,-0.00003114338849154711,0.00002994801558399589}},
{{0.1128092118809553,-0.1261656431623922,0.06465783383904638},
{0.1261656431623922,-0.1347065150820696,0.05982467094752078},
{0.06465783383904638,-0.05982467094752078,0.01342028920843553}},
{{0.7743528714095231,0,-0.1293573339200171},{0,0.3950780610746883,0},
{-0.1293573339200171,0,0.1636764991511842}},
{{0.1128092118809553,0.1261656431623922,0.06465783383904638},
{-0.1261656431623922,-0.1347065150820696,-0.05982467094752078},
{0.06465783383904638,0.05982467094752078,0.01342028920843553}},
{{0.00001435241351443475,0.00002152375883897738,0.00002083312096219267},
{-0.00002152375883897738,-0.00003224468529552152,-0.00003114338849154711},
{0.00002083312096219267,0.00003114338849154711,0.00002994801558399589}},
{{0,0,0},{0,0,0},{0,0,0}},{{0,0,0},{0,0,0},{0,0,0}}}}};

auto ia = 0;
for (auto alog10 : alog10s) {
Expand Down Expand Up @@ -3930,6 +3979,8 @@ namespace madness {
ia++;
}
}

return (maxerr < err_tolerance);
}

} // namespace madness

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