/dports/games/xvier/xvier-1.0/ |
H A D | vier.c | 24 #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 …]
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/dports/biology/molden/molden5.8/test/ |
H A D | gamess_us_uhf_opt | 399 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 …]
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H A D | gamess_us.h2o_631g_opt.out | 434 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
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/dports/devel/py-cclib/cclib-1.7.1/data/GAMESS/basicFirefly8.0/ |
H A D | water_mp2.out | 280 SCHWARZ INEQUALITY OVERHEAD: 28 INTEGRALS, CPU TIME= 0.00 285 SCHWARZ INEQUALITY TEST SKIPPED 0 INTEGRAL BLOCKS.
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H A D | dvb_td.out | 481 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.
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H A D | dvb_td_trplet.out | 481 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.
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H A D | C_bigbasis.out | 322 SCHWARZ INEQUALITY OVERHEAD: 1081 INTEGRALS, CPU TIME= 0.01 336 SCHWARZ INEQUALITY TEST SKIPPED 0 INTEGRAL BLOCKS.
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H A D | dvb_ir.out | 1738 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.
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H A D | dvb_sp.out | 1721 SCHWARZ INEQUALITY OVERHEAD: 1684 INTEGRALS, CPU TIME= 0.01 1752 SCHWARZ INEQUALITY TEST SKIPPED 21685 INTEGRAL BLOCKS.
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/dports/science/cdk/cdk-cdk-2.3/base/testdata/src/test/resources/data/gamess/ |
H A D | ch3oh_gam.out | 229 SCHWARZ INEQUALITY OVERHEAD: 105 INTEGRALS, T= 0.01 238 SCHWARZ INEQUALITY TEST SKIPPED 13 INTEGRAL BLOCKS.
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/dports/devel/py-cclib/cclib-1.7.1/data/GAMESS/basicGAMESS-US2018/ |
H A D | water_mp2.out | 509 SCHWARZ INEQUALITY TEST SKIPPED 0 INTEGRAL BLOCKS 526 SCHWARZ INEQUALITY TEST SKIPPED 0 INTEGRAL BLOCKS
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H A D | dvb_td.out | 517 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.
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H A D | dvb_td_trplet.out | 584 SCHWARZ INEQUALITY OVERHEAD: 1783 INTEGRALS, T= 0.00 615 SCHWARZ INEQUALITY TEST SKIPPED 45888 INTEGRAL BLOCKS.
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H A D | dvb_gopt_a.out | 560 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.
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H A D | water_ccsd(t).out | 632 SCHWARZ INEQUALITY TEST SKIPPED 0 INTEGRAL BLOCKS
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H A D | dvb_sp.out | 1778 SCHWARZ INEQUALITY OVERHEAD: 1783 INTEGRALS, T= 0.00 1809 SCHWARZ INEQUALITY TEST SKIPPED 22124 INTEGRAL BLOCKS.
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/dports/devel/py-cclib/cclib-1.7.1/data/GAMESS/basicGAMESS-US2017/ |
H A D | water_mp2.out | 500 SCHWARZ INEQUALITY TEST SKIPPED 0 INTEGRAL BLOCKS 517 SCHWARZ INEQUALITY TEST SKIPPED 0 INTEGRAL BLOCKS
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H A D | dvb_td.out | 502 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.
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H A D | dvb_td_trplet.out | 569 SCHWARZ INEQUALITY OVERHEAD: 1783 INTEGRALS, T= 0.01 600 SCHWARZ INEQUALITY TEST SKIPPED 45888 INTEGRAL BLOCKS.
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H A D | dvb_gopt_a.out | 545 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.
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H A D | water_ccsd(t).out | 623 SCHWARZ INEQUALITY TEST SKIPPED 0 INTEGRAL BLOCKS
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H A D | dvb_sp.out | 1763 SCHWARZ INEQUALITY OVERHEAD: 1783 INTEGRALS, T= 0.00 1794 SCHWARZ INEQUALITY TEST SKIPPED 22124 INTEGRAL BLOCKS.
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/dports/science/py-MDAnalysisTests/MDAnalysisTests-0.19.2/MDAnalysisTests/data/gms/ |
H A D | symopt.gms | 316 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
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/dports/science/qmcpack/qmcpack-3.11.0/tests/converter/test_aldet6/ |
H A D | aldet6.out | 398 SCHWARZ INEQUALITY OVERHEAD: 2211 INTEGRALS, T= 0.01 441 SCHWARZ INEQUALITY TEST SKIPPED 8638 INTEGRAL BLOCKS.
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/dports/devel/py-cclib/cclib-1.7.1/data/GAMESS/basicFirefly8.1/ |
H A D | dvb_dispersion_bp86_d3zero.out | 1868 SCHWARZ INEQUALITY OVERHEAD: 1692 INTEGRALS, CPU TIME= 0.00 1899 SCHWARZ INEQUALITY TEST SKIPPED 44878 INTEGRAL BLOCKS.
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