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Searched refs:SCHWARZ (Results 1 – 25 of 83) sorted by relevance

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/dports/games/xvier/xvier-1.0/
H A Dvier.c24 #define SCHWARZ 2 macro
61 if (*doublesp[j] == SCHWARZ &&
66 sp++ -> value = SCHWARZ;
149 *doublesp[j] = SCHWARZ;
266 if (doubles[i] == SCHWARZ) {
412 brett[pos] |= SCHWARZ;
637 brett[zj] |= SCHWARZ;
707 if (*doublesp[i] != SCHWARZ) {
710 *doublesp[i] = SCHWARZ;
728 if (*doublesp[i] != SCHWARZ) {
[all …]
/dports/biology/molden/molden5.8/test/
H A Dgamess_us_uhf_opt399 SCHWARZ INEQUALITY OVERHEAD: 373 INTEGRALS, T= 0.02
415 SCHWARZ INEQUALITY TEST SKIPPED 821 INTEGRAL BLOCKS.
900 SCHWARZ SCREENING SKIPPED 821 BLOCKS, COMPUTED 6408 BLOCKS
1038 SCHWARZ SCREENING SKIPPED 897 BLOCKS, COMPUTED 6332 BLOCKS
1177 SCHWARZ SCREENING SKIPPED 847 BLOCKS, COMPUTED 6382 BLOCKS
1313 SCHWARZ SCREENING SKIPPED 842 BLOCKS, COMPUTED 6387 BLOCKS
1447 SCHWARZ SCREENING SKIPPED 845 BLOCKS, COMPUTED 6384 BLOCKS
1587 SCHWARZ SCREENING SKIPPED 858 BLOCKS, COMPUTED 6371 BLOCKS
1727 SCHWARZ SCREENING SKIPPED 894 BLOCKS, COMPUTED 6335 BLOCKS
1865 SCHWARZ SCREENING SKIPPED 892 BLOCKS, COMPUTED 6337 BLOCKS
[all …]
H A Dgamess_us.h2o_631g_opt.out434 SCHWARZ SCREENING SKIPPED 0 BLOCKS, COMPUTED 199 BLOCKS
521 SCHWARZ SCREENING SKIPPED 0 BLOCKS, COMPUTED 199 BLOCKS
605 SCHWARZ SCREENING SKIPPED 0 BLOCKS, COMPUTED 199 BLOCKS
689 SCHWARZ SCREENING SKIPPED 0 BLOCKS, COMPUTED 199 BLOCKS
771 SCHWARZ SCREENING SKIPPED 0 BLOCKS, COMPUTED 199 BLOCKS
851 SCHWARZ SCREENING SKIPPED 0 BLOCKS, COMPUTED 199 BLOCKS
931 SCHWARZ SCREENING SKIPPED 0 BLOCKS, COMPUTED 199 BLOCKS
/dports/devel/py-cclib/cclib-1.7.1/data/GAMESS/basicFirefly8.0/
H A Dwater_mp2.out280 SCHWARZ INEQUALITY OVERHEAD: 28 INTEGRALS, CPU TIME= 0.00
285 SCHWARZ INEQUALITY TEST SKIPPED 0 INTEGRAL BLOCKS.
H A Ddvb_td.out481 SCHWARZ INEQUALITY OVERHEAD: 1684 INTEGRALS, CPU TIME= 0.01
512 SCHWARZ INEQUALITY TEST SKIPPED 21685 INTEGRAL BLOCKS.
1772 SCHWARZ INEQUALITY OVERHEAD: 1684 INTEGRALS, CPU TIME= 0.00
1803 SCHWARZ INEQUALITY TEST SKIPPED 44928 INTEGRAL BLOCKS.
H A Ddvb_td_trplet.out481 SCHWARZ INEQUALITY OVERHEAD: 1684 INTEGRALS, CPU TIME= 0.00
512 SCHWARZ INEQUALITY TEST SKIPPED 21685 INTEGRAL BLOCKS.
1772 SCHWARZ INEQUALITY OVERHEAD: 1684 INTEGRALS, CPU TIME= 0.00
1803 SCHWARZ INEQUALITY TEST SKIPPED 44928 INTEGRAL BLOCKS.
H A DC_bigbasis.out322 SCHWARZ INEQUALITY OVERHEAD: 1081 INTEGRALS, CPU TIME= 0.01
336 SCHWARZ INEQUALITY TEST SKIPPED 0 INTEGRAL BLOCKS.
H A Ddvb_ir.out1738 SCHWARZ INEQUALITY OVERHEAD: 1684 INTEGRALS, CPU TIME= 0.01
1769 SCHWARZ INEQUALITY TEST SKIPPED 21685 INTEGRAL BLOCKS.
3466 SCHWARZ INEQUALITY OVERHEAD: 1684 INTEGRALS, CPU TIME= 0.01
3497 SCHWARZ INEQUALITY TEST SKIPPED 44928 INTEGRAL BLOCKS.
3520 THE COARSE/FINE SCHWARZ SCREENINGS SKIPPED 21788/ 2481 BLOCKS.
H A Ddvb_sp.out1721 SCHWARZ INEQUALITY OVERHEAD: 1684 INTEGRALS, CPU TIME= 0.01
1752 SCHWARZ INEQUALITY TEST SKIPPED 21685 INTEGRAL BLOCKS.
/dports/science/cdk/cdk-cdk-2.3/base/testdata/src/test/resources/data/gamess/
H A Dch3oh_gam.out229 SCHWARZ INEQUALITY OVERHEAD: 105 INTEGRALS, T= 0.01
238 SCHWARZ INEQUALITY TEST SKIPPED 13 INTEGRAL BLOCKS.
/dports/devel/py-cclib/cclib-1.7.1/data/GAMESS/basicGAMESS-US2018/
H A Dwater_mp2.out509 SCHWARZ INEQUALITY TEST SKIPPED 0 INTEGRAL BLOCKS
526 SCHWARZ INEQUALITY TEST SKIPPED 0 INTEGRAL BLOCKS
H A Ddvb_td.out517 SCHWARZ INEQUALITY OVERHEAD: 5679 INTEGRALS, T= 0.00
568 SCHWARZ INEQUALITY TEST SKIPPED 220262 INTEGRAL BLOCKS.
3624 SCHWARZ INEQUALITY OVERHEAD: 5679 INTEGRALS, T= 0.05
3675 SCHWARZ INEQUALITY TEST SKIPPED 449383 INTEGRAL BLOCKS.
H A Ddvb_td_trplet.out584 SCHWARZ INEQUALITY OVERHEAD: 1783 INTEGRALS, T= 0.00
615 SCHWARZ INEQUALITY TEST SKIPPED 45888 INTEGRAL BLOCKS.
H A Ddvb_gopt_a.out560 SCHWARZ INEQUALITY OVERHEAD: 1783 INTEGRALS, T= 0.00
591 SCHWARZ INEQUALITY TEST SKIPPED 22124 INTEGRAL BLOCKS.
1850 THE COARSE/FINE SCHWARZ SCREENINGS SKIPPED 23038/ 6962 BLOCKS.
H A Dwater_ccsd(t).out632 SCHWARZ INEQUALITY TEST SKIPPED 0 INTEGRAL BLOCKS
H A Ddvb_sp.out1778 SCHWARZ INEQUALITY OVERHEAD: 1783 INTEGRALS, T= 0.00
1809 SCHWARZ INEQUALITY TEST SKIPPED 22124 INTEGRAL BLOCKS.
/dports/devel/py-cclib/cclib-1.7.1/data/GAMESS/basicGAMESS-US2017/
H A Dwater_mp2.out500 SCHWARZ INEQUALITY TEST SKIPPED 0 INTEGRAL BLOCKS
517 SCHWARZ INEQUALITY TEST SKIPPED 0 INTEGRAL BLOCKS
H A Ddvb_td.out502 SCHWARZ INEQUALITY OVERHEAD: 5679 INTEGRALS, T= 0.00
553 SCHWARZ INEQUALITY TEST SKIPPED 220262 INTEGRAL BLOCKS.
3609 SCHWARZ INEQUALITY OVERHEAD: 5679 INTEGRALS, T= 0.00
3660 SCHWARZ INEQUALITY TEST SKIPPED 449383 INTEGRAL BLOCKS.
H A Ddvb_td_trplet.out569 SCHWARZ INEQUALITY OVERHEAD: 1783 INTEGRALS, T= 0.01
600 SCHWARZ INEQUALITY TEST SKIPPED 45888 INTEGRAL BLOCKS.
H A Ddvb_gopt_a.out545 SCHWARZ INEQUALITY OVERHEAD: 1783 INTEGRALS, T= 0.00
576 SCHWARZ INEQUALITY TEST SKIPPED 22124 INTEGRAL BLOCKS.
1835 THE COARSE/FINE SCHWARZ SCREENINGS SKIPPED 23038/ 6962 BLOCKS.
H A Dwater_ccsd(t).out623 SCHWARZ INEQUALITY TEST SKIPPED 0 INTEGRAL BLOCKS
H A Ddvb_sp.out1763 SCHWARZ INEQUALITY OVERHEAD: 1783 INTEGRALS, T= 0.00
1794 SCHWARZ INEQUALITY TEST SKIPPED 22124 INTEGRAL BLOCKS.
/dports/science/py-MDAnalysisTests/MDAnalysisTests-0.19.2/MDAnalysisTests/data/gms/
H A Dsymopt.gms316 SCHWARZ INEQUALITY OVERHEAD: 78 INTEGRALS, T= 0.00
323 SCHWARZ INEQUALITY TEST SKIPPED 3 INTEGRAL BLOCKS.
560 SCHWARZ SCREENING SKIPPED 4 BLOCKS, COMPUTED 112 BLOCKS
/dports/science/qmcpack/qmcpack-3.11.0/tests/converter/test_aldet6/
H A Daldet6.out398 SCHWARZ INEQUALITY OVERHEAD: 2211 INTEGRALS, T= 0.01
441 SCHWARZ INEQUALITY TEST SKIPPED 8638 INTEGRAL BLOCKS.
/dports/devel/py-cclib/cclib-1.7.1/data/GAMESS/basicFirefly8.1/
H A Ddvb_dispersion_bp86_d3zero.out1868 SCHWARZ INEQUALITY OVERHEAD: 1692 INTEGRALS, CPU TIME= 0.00
1899 SCHWARZ INEQUALITY TEST SKIPPED 44878 INTEGRAL BLOCKS.

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