/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-cdft-3/ |
H A D | TEST_FILES | 6 HeH-cdft-state-1.inp 71 5e-08 0.048406446266 7 HeH-cdft-state-2.inp 71 2e-10 1.819391902439 10 HeH-mixed-cdft-1.inp 73 5e-10 509.054275709901 11 HeH-mixed-cdft-2.inp 73 5e-10 509.054275709901 13 HeH-mixed-cdft-3.inp 74 5e-10 544.950180211679 15 HeH-mixed-cdft-11.inp 76 5e-10 616.641603575543 17 HeH-mixed-cdft-4.inp 11 1e-13 -2.432588089626483 18 HeH-mixed-cdft-5.inp 11 1e-13 -2.432588089626483 20 HeH-mixed-cdft-6.inp 11 2e-11 -2.438344396867783 21 HeH-mixed-cdft-7.inp 11 2e-11 -2.438344396867765 [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-cdft-diag/ |
H A D | TEST_FILES | 6 He2-cdft-diag-1.inp 11 1e-13 -4.526329437291760 7 He2-cdft-diag-2.inp 11 1e-13 -4.526329530761175 9 He2-mixed-cdft-diag-1.inp 73 1e-11 444.493157682007 10 He2-mixed-cdft-diag-2.inp 73 2e-9 0.120864933677 11 He2-mixed-cdft-diag-3.inp 73 1e-11 444.493471275986 12 He2-mixed-cdft-diag-5.inp 73 1e-11 444.493471275987 13 He2-mixed-cdft-diag-6.inp 73 1e-11 34.273313989932 14 He2-mixed-cdft-diag-7.inp 73 1e-11 535.869873289158 16 He2-cdft-alphabeta-diag-1.inp 11 1e-9 -3.044689112623726 17 He2-cdft-alphabeta-diag-2.inp 11 1e-9 -3.044689417773989 [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-cdft-diag/ |
H A D | TEST_FILES | 6 He2-cdft-diag-1.inp 11 1e-13 -4.526329437291760 7 He2-cdft-diag-2.inp 11 1e-13 -4.526329530761175 9 He2-mixed-cdft-diag-1.inp 73 1e-11 444.493157682007 10 He2-mixed-cdft-diag-2.inp 73 2e-9 0.120864933677 11 He2-mixed-cdft-diag-3.inp 73 1e-11 444.493471275986 12 He2-mixed-cdft-diag-5.inp 73 1e-11 444.493471275987 13 He2-mixed-cdft-diag-6.inp 73 1e-11 34.273313989932 14 He2-mixed-cdft-diag-7.inp 73 1e-11 535.869873289158 16 He2-cdft-alphabeta-diag-1.inp 11 1e-9 -3.044689112623726 17 He2-cdft-alphabeta-diag-2.inp 11 1e-9 -3.044689417773989 [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-cdft-3/ |
H A D | TEST_FILES | 6 HeH-cdft-state-1.inp 71 5e-08 0.048406446266 7 HeH-cdft-state-2.inp 71 2e-10 1.819391902439 10 HeH-mixed-cdft-1.inp 73 5e-10 509.054275709901 11 HeH-mixed-cdft-2.inp 73 5e-10 509.054275709901 13 HeH-mixed-cdft-3.inp 74 5e-10 544.950180211679 15 HeH-mixed-cdft-11.inp 76 5e-10 616.641603575543 17 HeH-mixed-cdft-4.inp 11 1e-13 -2.432588089626483 18 HeH-mixed-cdft-5.inp 11 1e-13 -2.432588089626483 20 HeH-mixed-cdft-6.inp 11 2e-11 -2.438344396867783 21 HeH-mixed-cdft-7.inp 11 2e-11 -2.438344396867765 [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-cdft-1/ |
H A D | TEST_FILES | 7 water-cdft-1.inp 71 1e-12 7.980507208154 8 water-cdft-2.inp 71 1e-12 7.980507208154 9 water-cdft-3.inp 71 1e-12 7.980507208154 10 water-cdft-4.inp 71 1e-12 7.980507208154 11 water-cdft-5.inp 71 1e-12 7.980507208154 12 water-cdft-6.inp 71 1e-12 7.980507208154 14 water-cdft-9.inp 71 1e-12 9.993315307081 16 water-cdft-7.inp 71 1e-12 7.895327942825 17 water-cdft-8.inp 71 1e-12 7.980463707323
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-cdft-1/ |
H A D | TEST_FILES | 7 water-cdft-1.inp 71 1e-12 7.980507208154 8 water-cdft-2.inp 71 1e-12 7.980507208154 9 water-cdft-3.inp 71 1e-12 7.980507208154 10 water-cdft-4.inp 71 1e-12 7.980507208154 11 water-cdft-5.inp 71 1e-12 7.980507208154 12 water-cdft-6.inp 71 1e-12 7.980507208154 14 water-cdft-9.inp 71 1e-12 9.993315307081 16 water-cdft-7.inp 71 1e-12 7.895327942825 17 water-cdft-8.inp 71 1e-12 7.980463707323
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-cdft-2/ |
H A D | TEST_FILES | 9 HeH-cdft-1.inp 71 3e-11 1.200733561958 10 HeH-cdft-2.inp 71 2e-11 1.599542796623 11 HeH-cdft-3.inp 71 3e-11 1.415849431280 12 HeH-cdft-4.inp 71 1e-11 1.707100731284 14 HeH-cdft-9.inp 71 2e-11 0.000000000000 16 HeH-cdft-5.inp 72 3e-09 0.1451730892728 17 HeH-cdft-6.inp 72 3e-09 0.1451730892732 18 HeH-cdft-7.inp 72 3e-09 0.1451730892732 20 HeH-cdft-8.inp 71 3e-11 1.415849431280 22 HeH-cdft-10.inp 71 2e-11 -0.000000000000
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-cdft-2/ |
H A D | TEST_FILES | 9 HeH-cdft-1.inp 71 3e-11 1.200733561958 10 HeH-cdft-2.inp 71 2e-11 1.599542796623 11 HeH-cdft-3.inp 71 3e-11 1.415849431280 12 HeH-cdft-4.inp 71 1e-11 1.707100731284 14 HeH-cdft-9.inp 71 2e-11 0.000000000000 16 HeH-cdft-5.inp 72 3e-09 0.1451730892728 17 HeH-cdft-6.inp 72 3e-09 0.1451730892732 18 HeH-cdft-7.inp 72 3e-09 0.1451730892732 20 HeH-cdft-8.inp 71 3e-11 1.415849431280 22 HeH-cdft-10.inp 71 2e-11 -0.000000000000
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-cdft-5/ |
H A D | TEST_FILES | 6 He2H-cdft-state-1a.inp 71 2e-9 1.594524947172 7 He2H-cdft-state-1b.inp 71 3e-9 0.515235783150 8 He2H-cdft-state-2a.inp 71 2e-9 1.994632273937 9 He2H-cdft-state-2b.inp 71 2e-9 1.852668458861 11 He2H-mixed-cdft-1.inp 77 5e-8 -6.84813719910651 12 He2H-mixed-cdft-2.inp 77 2e-7 -7.90368522838573 13 He2H-mixed-cdft-3.inp 77 5e-8 -5.78009324749503 14 He2H-mixed-cdft-4.inp 77 5e-8 -6.73674737139200
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-cdft-5/ |
H A D | TEST_FILES | 6 He2H-cdft-state-1a.inp 71 2e-9 1.594524947172 7 He2H-cdft-state-1b.inp 71 3e-9 0.515235783150 8 He2H-cdft-state-2a.inp 71 2e-9 1.994632273937 9 He2H-cdft-state-2b.inp 71 2e-9 1.852668458861 11 He2H-mixed-cdft-1.inp 77 5e-8 -6.84813719910651 12 He2H-mixed-cdft-2.inp 77 2e-7 -7.90368522838573 13 He2H-mixed-cdft-3.inp 77 5e-8 -5.78009324749503 14 He2H-mixed-cdft-4.inp 77 5e-8 -6.73674737139200
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/dports/math/scilab/scilab-6.1.1/scilab/modules/statistics/tests/unit_tests/ |
H A D | cdft.dia.ref | 9 // Tests for cdft() function 12 // Run with test_run('statistics','cdft',['no_check_error_output']); 17 [P1,Q1] = cdft("PQ",Th,Df); 18 [P2,Q2] = cdft("PQ",-Th,Df); 20 [P,Q] = cdft("PQ",Th,Df); 21 Th1 = cdft("T",Df,P,Q); 22 Df1 = cdft("Df",P,Q,Th); 29 [P,Q] = cdft("PQ", T, Df); 33 [P,Q] = cdft("PQ", T, Df);
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H A D | cdft.tst | 10 // Tests for cdft() function 14 // Run with test_run('statistics','cdft',['no_check_error_output']); 21 [P1,Q1] = cdft("PQ",Th,Df); 22 [P2,Q2] = cdft("PQ",-Th,Df); 26 [P,Q] = cdft("PQ",Th,Df); 27 Th1 = cdft("T",Df,P,Q); 28 Df1 = cdft("Df",P,Q,Th); 38 [P,Q] = cdft("PQ", T, Df); 43 [P,Q] = cdft("PQ", T, Df);
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-cdft-3-1/ |
H A D | TEST_FILES | 5 # Same as regtest-cdft-3 7 HeH-cdft-state-1.inp 71 2e-07 0.048406446266 8 # Same as regtest-cdft-3 test 2, but constraint definition flipped 9 HeH-cdft-state-2-reversed.inp 71 3e-10 -1.819391902440 11 # Same as regtest-cdft-3 test 11, but with nonidentical constraint definitions 12 HeH-mixed-cdft-reversed-1.inp 76 9e-10 616.641603574904
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-cdft-3-1/ |
H A D | TEST_FILES | 5 # Same as regtest-cdft-3 7 HeH-cdft-state-1.inp 71 2e-07 0.048406446266 8 # Same as regtest-cdft-3 test 2, but constraint definition flipped 9 HeH-cdft-state-2-reversed.inp 71 3e-10 -1.819391902440 11 # Same as regtest-cdft-3 test 11, but with nonidentical constraint definitions 12 HeH-mixed-cdft-reversed-1.inp 76 9e-10 616.641603574904
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-cdft-hirshfeld-2/ |
H A D | TEST_FILES | 6 HeH-cdft-state-1.inp 71 5e-08 0.161058337228 7 HeH-cdft-state-2.inp 71 1e-09 1.849710970513 10 HeH-mixed-cdft-1.inp 73 5e-10 204.357138287654 12 HeH-mixed-cdft-2.inp 76 5e-10 154.149819062673 14 HeH-mixed-cdft-3.inp 77 3e-12 -2.80477609770094 17 HeH-mixed-cdft-8.inp 73 5e-10 204.357138287651
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-cdft-hirshfeld-2/ |
H A D | TEST_FILES | 6 HeH-cdft-state-1.inp 71 5e-08 0.161058337228 7 HeH-cdft-state-2.inp 71 1e-09 1.849710970513 10 HeH-mixed-cdft-1.inp 73 5e-10 204.357138287654 12 HeH-mixed-cdft-2.inp 76 5e-10 154.149819062673 14 HeH-mixed-cdft-3.inp 77 3e-12 -2.80477609770094 17 HeH-mixed-cdft-8.inp 73 5e-10 204.357138287651
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-cdft-4-2/ |
H A D | TEST_FILES | 8 HeH-cdft-newton-fd1backward.inp 1 9e-04 -2.80114428543899 9 HeH-cdft-newton-fd2.inp 1 9e-04 -2.71354237564800 10 HeH-cdft-newton-fd1central.inp 1 3e-04 -2.76375295298293 12 HeH-cdft-newton-ls-fd2backward.inp 1 2e-03 -2.44853002459689 14 HeH-cdft-newton-fd1backward-restjacobian.inp 1 9e-04 -2.80098856516107 16 HeH-cdft-newton-contls-fd2backward.inp 1 2e-03 -2.43211811596821
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-cdft-4-2/ |
H A D | TEST_FILES | 8 HeH-cdft-newton-fd1backward.inp 1 9e-04 -2.80114428543899 9 HeH-cdft-newton-fd2.inp 1 9e-04 -2.71354237564800 10 HeH-cdft-newton-fd1central.inp 1 3e-04 -2.76375295298293 12 HeH-cdft-newton-ls-fd2backward.inp 1 2e-03 -2.44853002459689 14 HeH-cdft-newton-fd1backward-restjacobian.inp 1 9e-04 -2.80098856516107 16 HeH-cdft-newton-contls-fd2backward.inp 1 2e-03 -2.43211811596821
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QMMM/QS/regtest-cdft/ |
H A D | TEST_FILES | 8 HeH-water-cdft-state-1.inp 0 9 HeH-water-cdft-state-2.inp 0 12 HeH-water-mixed-cdft-1.inp 75 5e-10 0.318940758387 13 HeH-water-mixed-cdft-2.inp 75 5e-10 0.318940758387 15 HeH-water-mixed-cdft-3.inp 11 1e-09 -2.564762048904492 16 HeH-water-mixed-cdft-4.inp 11 2e-09 -2.564762048791228
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QMMM/QS/regtest-cdft/ |
H A D | TEST_FILES | 8 HeH-water-cdft-state-1.inp 0 9 HeH-water-cdft-state-2.inp 0 12 HeH-water-mixed-cdft-1.inp 75 5e-10 0.318940758387 13 HeH-water-mixed-cdft-2.inp 75 5e-10 0.318940758387 15 HeH-water-mixed-cdft-3.inp 11 1e-09 -2.564762048904492 16 HeH-water-mixed-cdft-4.inp 11 2e-09 -2.564762048791228
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-cdft-4-3/ |
H A D | TEST_FILES | 8 HeH-cdft-newton-fd1.inp 11 3e-07 -2.432124875819301 10 HeH-cdft-md-newton-1-1.inp 11 2e-08 -2.438122042044888 11 HeH-cdft-md-broyden-5-1.inp 11 1e-09 -2.438121661487591 12 HeH-cdft-md-broyden-5-5.inp 11 1e-09 -2.438121661487591 14 HeH-mixed-cdft-md-newton-1-1.inp 11 2e-09 -2.435138966299025
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-cdft-4-3/ |
H A D | TEST_FILES | 8 HeH-cdft-newton-fd1.inp 11 3e-07 -2.432124875819301 10 HeH-cdft-md-newton-1-1.inp 11 2e-08 -2.438122042044888 11 HeH-cdft-md-broyden-5-1.inp 11 1e-09 -2.438121661487591 12 HeH-cdft-md-broyden-5-5.inp 11 1e-09 -2.438121661487591 14 HeH-mixed-cdft-md-newton-1-1.inp 11 2e-09 -2.435138966299025
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-cdft-4-1/ |
H A D | TEST_FILES | 7 HeH-cdft-secant.inp 1 1e-09 -2.43380161368197 9 HeH-cdft-broyden-bt1.inp 1 1e-09 -2.43247404297694 10 HeH-cdft-broyden-bt2.inp 1 1e-09 -2.43226496742776 11 HeH-cdft-broyden-bt1explicit.inp 1 5e-06 -2.43270552319648
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-cdft-4-1/ |
H A D | TEST_FILES | 7 HeH-cdft-secant.inp 1 1e-09 -2.43380161368197 9 HeH-cdft-broyden-bt1.inp 1 1e-09 -2.43247404297694 10 HeH-cdft-broyden-bt2.inp 1 1e-09 -2.43226496742776 11 HeH-cdft-broyden-bt1explicit.inp 1 5e-06 -2.43270552319648
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-cdft-hirshfeld/ |
H A D | TEST_FILES | 9 HeH-cdft-1.inp 71 3e-11 1.135281643193 10 HeH-cdft-2.inp 71 2e-11 1.681172869379 11 HeH-cdft-3.inp 71 8e-08 1.197176189824 12 HeH-cdft-4.inp 71 2e-11 1.567706385507
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