Home
last modified time | relevance | path

Searched refs:o3data (Results 1 – 13 of 13) sorted by relevance

/dports/science/bagel/bagel-1.2.2/src/smith/caspt2/
H A DCASPT2_tasks11.cc896 out(3)->add_block(o3data, x0, x5, x1, x4, x3, x2); in compute()
1411 out(3)->add_block(o3data, x5, x4, x0, x3, x1, x2); in compute()
1921 out(3)->add_block(o3data, x2, x5, x3, x4, x1, x0); in compute()
2164 out(3)->add_block(o3data, x7, x6, x2, x5, x4, x0); in compute()
2240 out(3)->add_block(o3data, x7, x6, x4, x3, x2, x0); in compute()
2316 out(3)->add_block(o3data, x7, x0, x2, x5, x4, x3); in compute()
2375 out(3)->add_block(o3data, x7, x6, x4, x5, x1, x0); in compute()
2415 out(3)->add_block(o3data, x7, x6, x4, x3, x1, x0); in compute()
2455 out(3)->add_block(o3data, x7, x5, x4, x3, x1, x0); in compute()
2476 out(3)->add_block(o3data, x7, x6, x2, x3, x1, x0); in compute()
[all …]
H A DMSCASPT2_tasks7.cc201 std::fill_n(o3data.get(), out(3)->get_size(x7, x6, x2, x5, x4, x0), 0.0); in compute()
218 out(3)->add_block(o3data, x7, x6, x2, x5, x4, x0); in compute()
294 out(3)->add_block(o3data, x7, x6, x4, x3, x2, x0); in compute()
370 out(3)->add_block(o3data, x7, x0, x2, x5, x4, x3); in compute()
429 out(3)->add_block(o3data, x7, x6, x4, x5, x1, x0); in compute()
469 out(3)->add_block(o3data, x7, x6, x4, x3, x1, x0); in compute()
509 out(3)->add_block(o3data, x7, x5, x4, x3, x1, x0); in compute()
530 out(3)->add_block(o3data, x7, x6, x2, x3, x1, x0); in compute()
551 out(3)->add_block(o3data, x7, x3, x2, x5, x1, x0); in compute()
729 out(3)->add_block(o3data, x5, x4, x2, x3, x1, x0); in compute()
[all …]
H A DCASPT2_tasks15.cc575 std::fill_n(o3data.get(), out(3)->get_size(x5, x2, x4, x3, x1, x0), 0.0); in compute()
577 out(3)->add_block(o3data, x5, x2, x4, x3, x1, x0); in compute()
718 std::fill_n(o3data.get(), out(3)->get_size(x5, x0, x3, x4, x2, x1), 0.0); in compute()
720 out(3)->add_block(o3data, x5, x0, x3, x4, x2, x1); in compute()
832 std::fill_n(o3data.get(), out(3)->get_size(x5, x4, x3, x0, x2, x1), 0.0); in compute()
834 out(3)->add_block(o3data, x5, x4, x3, x0, x2, x1); in compute()
941 std::fill_n(o3data.get(), out(3)->get_size(x7, x0, x6, x1, x4, x3), 0.0); in compute()
958 out(3)->add_block(o3data, x7, x0, x6, x1, x4, x3); in compute()
998 out(3)->add_block(o3data, x7, x0, x6, x5, x4, x1); in compute()
1019 out(3)->add_block(o3data, x7, x0, x6, x3, x2, x1); in compute()
[all …]
H A DMSCASPT2_tasks9.cc615 std::fill_n(o3data.get(), out(3)->get_size(x5, x2, x4, x3, x1, x0), 0.0); in compute()
617 out(3)->add_block(o3data, x5, x2, x4, x3, x1, x0); in compute()
729 std::fill_n(o3data.get(), out(3)->get_size(x5, x0, x3, x4, x2, x1), 0.0); in compute()
731 out(3)->add_block(o3data, x5, x0, x3, x4, x2, x1); in compute()
843 std::fill_n(o3data.get(), out(3)->get_size(x5, x4, x3, x0, x2, x1), 0.0); in compute()
845 out(3)->add_block(o3data, x5, x4, x3, x0, x2, x1); in compute()
923 std::fill_n(o3data.get(), out(3)->get_size(x7, x0, x6, x1, x4, x3), 0.0); in compute()
940 out(3)->add_block(o3data, x7, x0, x6, x1, x4, x3); in compute()
980 out(3)->add_block(o3data, x7, x0, x6, x5, x4, x1); in compute()
1001 out(3)->add_block(o3data, x7, x0, x6, x3, x2, x1); in compute()
[all …]
H A DMSCASPT2_tasks11.cc212 std::fill_n(o3data.get(), out(3)->get_size(x2, x5, x4, x3, x1, x0), 0.0); in compute()
214 out(3)->add_block(o3data, x2, x5, x4, x3, x1, x0); in compute()
371 std::fill_n(o3data.get(), out(3)->get_size(x5, x4, x2, x3, x1, x0), 0.0); in compute()
373 out(3)->add_block(o3data, x5, x4, x2, x3, x1, x0); in compute()
946 std::fill_n(o3data.get(), out(3)->get_size(x5, x0, x4, x3, x2, x1), 0.0); in compute()
948 out(3)->add_block(o3data, x5, x0, x4, x3, x2, x1); in compute()
1033 std::fill_n(o3data.get(), out(3)->get_size(x5, x4, x3, x0, x2, x1), 0.0); in compute()
1035 out(3)->add_block(o3data, x5, x4, x3, x0, x2, x1); in compute()
1648 std::fill_n(o3data.get(), out(3)->get_size(x5, x4, x0, x3, x2, x1), 0.0); in compute()
1650 out(3)->add_block(o3data, x5, x4, x0, x3, x2, x1); in compute()
[all …]
H A DCASPT2_tasks16.cc722 std::unique_ptr<double[]> o3data(new double[out(3)->get_size(x5, x0, x4, x1, x3, x2)]); in compute() local
723 std::fill_n(o3data.get(), out(3)->get_size(x5, x0, x4, x1, x3, x2), 0.0); in compute()
730 … o3data[ix5+x5.size()*(ix0+x0.size()*(ix4+x4.size()*(ix1+x1.size()*(ix3+x3.size()*(ix2)))))] += in compute()
738 out(3)->add_block(o3data, x5, x0, x4, x1, x3, x2); in compute()
981 std::unique_ptr<double[]> o3data(new double[out(3)->get_size(x2, x5, x4, x3, x1, x0)]); in compute() local
982 std::fill_n(o3data.get(), out(3)->get_size(x2, x5, x4, x3, x1, x0), 0.0); in compute()
983 …sort_indices<0,1,2,3,4,5,1,1,-1,1>(i0data_sorted, o3data, x2.size(), x5.size(), x4.size(), x3.size… in compute()
984 out(3)->add_block(o3data, x2, x5, x4, x3, x1, x0); in compute()
1193 std::unique_ptr<double[]> o3data(new double[out(3)->get_size(x5, x4, x0, x3, x2, x1)]); in compute() local
1194 std::fill_n(o3data.get(), out(3)->get_size(x5, x4, x0, x3, x2, x1), 0.0); in compute()
[all …]
H A DMSCASPT2_tasks12.cc397 std::unique_ptr<double[]> o3data(new double[out(3)->get_size(x5, x0, x4, x3, x2, x1)]); in compute() local
398 std::fill_n(o3data.get(), out(3)->get_size(x5, x0, x4, x3, x2, x1), 0.0); in compute()
399 …sort_indices<0,1,2,3,4,5,1,1,1,1>(i0data_sorted, o3data, x5.size(), x0.size(), x4.size(), x3.size(… in compute()
400 out(3)->add_block(o3data, x5, x0, x4, x3, x2, x1); in compute()
484 std::unique_ptr<double[]> o3data(new double[out(3)->get_size(x5, x2, x4, x3, x1, x0)]); in compute() local
485 std::fill_n(o3data.get(), out(3)->get_size(x5, x2, x4, x3, x1, x0), 0.0); in compute()
486 …sort_indices<0,1,2,3,4,5,1,1,1,1>(i0data_sorted, o3data, x5.size(), x2.size(), x4.size(), x3.size(… in compute()
487 out(3)->add_block(o3data, x5, x2, x4, x3, x1, x0); in compute()
H A DMSCASPT2_tasks8.cc214 std::unique_ptr<double[]> o3data(new double[out(3)->get_size(x5, x4, x1, x3, x2, x0)]); in compute() local
215 std::fill_n(o3data.get(), out(3)->get_size(x5, x4, x1, x3, x2, x0), 0.0); in compute()
217 out(3)->add_block(o3data, x5, x4, x1, x3, x2, x0); in compute()
462 std::unique_ptr<double[]> o3data(new double[out(3)->get_size(x5, x0, x1, x4, x3, x2)]); in compute() local
463 std::fill_n(o3data.get(), out(3)->get_size(x5, x0, x1, x4, x3, x2), 0.0); in compute()
478 out(3)->add_block(o3data, x5, x0, x1, x4, x3, x2); in compute()
791 std::unique_ptr<double[]> o3data(new double[out(3)->get_size(x5, x4, x3, x2, x1, x0)]); in compute() local
792 std::fill_n(o3data.get(), out(3)->get_size(x5, x4, x3, x2, x1, x0), 0.0); in compute()
807 out(3)->add_block(o3data, x5, x4, x3, x2, x1, x0); in compute()
1434 std::fill_n(o3data.get(), out(3)->get_size(x5, x0, x4, x3, x1, x2), 0.0); in compute()
[all …]
H A DMSCASPT2_tasks10.cc446 std::unique_ptr<double[]> o3data(new double[out(3)->get_size(x5, x0, x4, x1, x3, x2)]); in compute() local
447 std::fill_n(o3data.get(), out(3)->get_size(x5, x0, x4, x1, x3, x2), 0.0); in compute()
454 … o3data[ix5+x5.size()*(ix0+x0.size()*(ix4+x4.size()*(ix1+x1.size()*(ix3+x3.size()*(ix2)))))] += in compute()
462 out(3)->add_block(o3data, x5, x0, x4, x1, x3, x2); in compute()
754 std::unique_ptr<double[]> o3data(new double[out(3)->get_size(x5, x4, x2, x3, x1, x0)]); in compute() local
755 std::fill_n(o3data.get(), out(3)->get_size(x5, x4, x2, x3, x1, x0), 0.0); in compute()
757 out(3)->add_block(o3data, x5, x4, x2, x3, x1, x0); in compute()
1097 std::unique_ptr<double[]> o3data(new double[out(3)->get_size(x5, x0, x4, x3, x2, x1)]); in compute() local
1098 std::fill_n(o3data.get(), out(3)->get_size(x5, x0, x4, x3, x2, x1), 0.0); in compute()
1099 …sort_indices<0,1,2,3,4,5,1,1,1,1>(i0data_sorted, o3data, x5.size(), x0.size(), x4.size(), x3.size(… in compute()
[all …]
H A DCASPT2_tasks13.cc513 std::unique_ptr<double[]> o3data(new double[out(3)->get_size(x5, x4, x1, x3, x2, x0)]); in compute() local
514 std::fill_n(o3data.get(), out(3)->get_size(x5, x4, x1, x3, x2, x0), 0.0); in compute()
516 out(3)->add_block(o3data, x5, x4, x1, x3, x2, x0); in compute()
790 std::unique_ptr<double[]> o3data(new double[out(3)->get_size(x5, x0, x1, x4, x3, x2)]); in compute() local
791 std::fill_n(o3data.get(), out(3)->get_size(x5, x0, x1, x4, x3, x2), 0.0); in compute()
798 … o3data[ix5+x5.size()*(ix0+x0.size()*(ix1+x1.size()*(ix4+x4.size()*(ix3+x3.size()*(ix2)))))] += in compute()
806 out(3)->add_block(o3data, x5, x0, x1, x4, x3, x2); in compute()
1252 std::unique_ptr<double[]> o3data(new double[out(3)->get_size(x5, x4, x3, x2, x1, x0)]); in compute() local
1253 std::fill_n(o3data.get(), out(3)->get_size(x5, x4, x3, x2, x1, x0), 0.0); in compute()
1260 … o3data[ix5+x5.size()*(ix4+x4.size()*(ix3+x3.size()*(ix2+x2.size()*(ix1+x1.size()*(ix0)))))] += in compute()
[all …]
H A DMSCASPT2_tasks6.cc1118 std::unique_ptr<double[]> o3data(new double[out(3)->get_size(x0, x5, x1, x4, x3, x2)]); in compute() local
1119 std::fill_n(o3data.get(), out(3)->get_size(x0, x5, x1, x4, x3, x2), 0.0); in compute()
1126 … o3data[ix0+x0.size()*(ix5+x5.size()*(ix1+x1.size()*(ix4+x4.size()*(ix3+x3.size()*(ix2)))))] += in compute()
1134 out(3)->add_block(o3data, x0, x5, x1, x4, x3, x2); in compute()
1558 std::unique_ptr<double[]> o3data(new double[out(3)->get_size(x5, x4, x0, x3, x1, x2)]); in compute() local
1559 std::fill_n(o3data.get(), out(3)->get_size(x5, x4, x0, x3, x1, x2), 0.0); in compute()
1560 …sort_indices<0,1,2,3,4,5,1,1,1,1>(i0data_sorted, o3data, x5.size(), x4.size(), x0.size(), x3.size(… in compute()
1561 out(3)->add_block(o3data, x5, x4, x0, x3, x1, x2); in compute()
2068 std::unique_ptr<double[]> o3data(new double[out(3)->get_size(x2, x5, x3, x4, x1, x0)]); in compute() local
2069 std::fill_n(o3data.get(), out(3)->get_size(x2, x5, x3, x4, x1, x0), 0.0); in compute()
[all …]
H A DCASPT2_tasks14.cc700 std::unique_ptr<double[]> o3data(new double[out(3)->get_size(x5, x0, x4, x3, x1, x2)]); in compute() local
701 std::fill_n(o3data.get(), out(3)->get_size(x5, x0, x4, x3, x1, x2), 0.0); in compute()
702 …sort_indices<0,1,2,3,4,5,1,1,-1,1>(i0data_sorted, o3data, x5.size(), x0.size(), x4.size(), x3.size… in compute()
703 out(3)->add_block(o3data, x5, x0, x4, x3, x1, x2); in compute()
H A DCASPT2_tasks12.cc528 std::unique_ptr<double[]> o3data(new double[out(3)->get_size(x5, x3, x2, x4, x1, x0)]); in compute() local
529 std::fill_n(o3data.get(), out(3)->get_size(x5, x3, x2, x4, x1, x0), 0.0); in compute()
530 …sort_indices<0,1,2,3,4,5,1,1,1,1>(i0data_sorted, o3data, x5.size(), x3.size(), x2.size(), x4.size(… in compute()
531 out(3)->add_block(o3data, x5, x3, x2, x4, x1, x0); in compute()