diff --git a/src/madness/mra/test_sepop.cc b/src/madness/mra/test_sepop.cc index f59878a306f..1714de7e287 100644 --- a/src/madness/mra/test_sepop.cc +++ b/src/madness/mra/test_sepop.cc @@ -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) { @@ -3930,6 +3979,8 @@ namespace madness { ia++; } } + + return (maxerr < err_tolerance); } } // namespace madness