/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/dft_scan/ |
H A D | dft_scan.out | 477 MO Center= -2.2D-01, -1.2D+00, -1.9D-02, r^2= 1.2D-02 483 MO Center= -2.4D-01, 1.2D+00, -9.8D-02, r^2= 2.0D-02 489 MO Center= 4.3D-01, 2.1D-02, 3.4D-02, r^2= 2.8D-02 495 MO Center= -1.3D-01, -9.9D-01, -1.2D-02, r^2= 4.0D-01 505 MO Center= -3.4D-02, 8.4D-01, 6.6D-02, r^2= 9.3D-01 515 MO Center= 2.1D-01, -1.8D-01, 3.2D-02, r^2= 1.9D+00 525 MO Center= 3.3D-01, -5.2D-01, -3.6D-02, r^2= 1.4D+00 535 MO Center= -1.3D-01, 2.6D-01, 7.5D-02, r^2= 1.9D+00 545 MO Center= -1.3D-01, -7.5D-01, 4.2D-02, r^2= 1.2D+00 555 MO Center= 1.3D-02, -4.4D-01, -6.0D-03, r^2= 1.8D+00 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/dft_scan/ |
H A D | dft_scan.out | 477 MO Center= -2.2D-01, -1.2D+00, -1.9D-02, r^2= 1.2D-02 483 MO Center= -2.4D-01, 1.2D+00, -9.8D-02, r^2= 2.0D-02 489 MO Center= 4.3D-01, 2.1D-02, 3.4D-02, r^2= 2.8D-02 495 MO Center= -1.3D-01, -9.9D-01, -1.2D-02, r^2= 4.0D-01 505 MO Center= -3.4D-02, 8.4D-01, 6.6D-02, r^2= 9.3D-01 515 MO Center= 2.1D-01, -1.8D-01, 3.2D-02, r^2= 1.9D+00 525 MO Center= 3.3D-01, -5.2D-01, -3.6D-02, r^2= 1.4D+00 535 MO Center= -1.3D-01, 2.6D-01, 7.5D-02, r^2= 1.9D+00 545 MO Center= -1.3D-01, -7.5D-01, 4.2D-02, r^2= 1.2D+00 555 MO Center= 1.3D-02, -4.4D-01, -6.0D-03, r^2= 1.8D+00 [all …]
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/dports/graphics/megapov/megapov-1.2.1/source/ |
H A D | spheres.cpp | 287 VSub(Origin_To_Center, Center, Ray->Initial); in Intersect_Sphere() 566 VAddEq(Sphere->Center, Vector); in Translate_Sphere() 610 MTransPoint(Sphere->Center, Sphere->Center, Trans); in Rotate_Sphere() 664 VScaleEq(Sphere->Center, Vector[X]); in Scale_Sphere() 745 Make_Vector(New->Center, 0.0, 0.0, 0.0); in Create_Sphere() 832 (DBL)((SPHERE *)Object)->Center[X], \ in Destroy_Sphere() 833 (DBL)((SPHERE *)Object)->Center[Y], \ in Destroy_Sphere() 834 (DBL)((SPHERE *)Object)->Center[Z]); \ in Destroy_Sphere() 878 …Make_BBox(Sphere->BBox, Sphere->Center[X] - Sphere->Radius, Sphere->Center[Y] - Sphere->Radius, S… in Compute_Sphere_BBox() 930 Assign_Vector(New_Center, Sphere->Center); in Sphere_UVCoord() [all …]
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/dports/graphics/povray36/povray-3.6.1/source/ |
H A D | spheres.cpp | 282 VSub(Origin_To_Center, Center, Ray->Initial); in Intersect_Sphere() 561 VAddEq(Sphere->Center, Vector); in Translate_Sphere() 605 MTransPoint(Sphere->Center, Sphere->Center, Trans); in Rotate_Sphere() 659 VScaleEq(Sphere->Center, Vector[X]); in Scale_Sphere() 740 Make_Vector(New->Center, 0.0, 0.0, 0.0); in Create_Sphere() 827 (DBL)((SPHERE *)Object)->Center[X], \ in Destroy_Sphere() 828 (DBL)((SPHERE *)Object)->Center[Y], \ in Destroy_Sphere() 829 (DBL)((SPHERE *)Object)->Center[Z]); \ in Destroy_Sphere() 873 …Make_BBox(Sphere->BBox, Sphere->Center[X] - Sphere->Radius, Sphere->Center[Y] - Sphere->Radius, S… in Compute_Sphere_BBox() 925 Assign_Vector(New_Center, Sphere->Center); in Sphere_UVCoord() [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/uo2_ecp/ |
H A D | uo2_ecp.out | 611 MO Center= -1.8D-17, -2.8D-16, 4.7D-14, r^2= 2.7D+00 619 MO Center= -2.0D-17, -3.4D-31, -1.7D-18, r^2= 1.1D+00 625 MO Center= -5.8D-32, 5.5D-17, -3.5D-18, r^2= 1.1D+00 631 MO Center= 1.5D-28, 9.4D-30, 3.6D-14, r^2= 3.0D+00 640 MO Center= 3.1D-31, -2.1D-18, -2.2D-16, r^2= 2.8D+00 648 MO Center= -1.8D-17, 1.0D-30, 0.0D+00, r^2= 2.8D+00 656 MO Center= 7.1D-17, 4.8D-32, 1.1D-16, r^2= 2.5D+00 665 MO Center= 1.3D-31, -3.2D-16, 2.2D-16, r^2= 2.5D+00 674 MO Center= 5.3D-17, -3.7D-18, -3.3D-13, r^2= 1.5D+00 682 MO Center= 2.6D-16, 9.0D-18, 4.2D-12, r^2= 3.3D+00 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/uo2_ecp/ |
H A D | uo2_ecp.out | 611 MO Center= -1.8D-17, -2.8D-16, 4.7D-14, r^2= 2.7D+00 619 MO Center= -2.0D-17, -3.4D-31, -1.7D-18, r^2= 1.1D+00 625 MO Center= -5.8D-32, 5.5D-17, -3.5D-18, r^2= 1.1D+00 631 MO Center= 1.5D-28, 9.4D-30, 3.6D-14, r^2= 3.0D+00 640 MO Center= 3.1D-31, -2.1D-18, -2.2D-16, r^2= 2.8D+00 648 MO Center= -1.8D-17, 1.0D-30, 0.0D+00, r^2= 2.8D+00 656 MO Center= 7.1D-17, 4.8D-32, 1.1D-16, r^2= 2.5D+00 665 MO Center= 1.3D-31, -3.2D-16, 2.2D-16, r^2= 2.5D+00 674 MO Center= 5.3D-17, -3.7D-18, -3.3D-13, r^2= 1.5D+00 682 MO Center= 2.6D-16, 9.0D-18, 4.2D-12, r^2= 3.3D+00 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/acr_lcblyp/ |
H A D | acr_lcblyp.out | 562 MO Center= -1.2D-01, -1.8D+00, -4.6D-20, r^2= 1.5D-02 568 MO Center= 3.5D-01, -6.7D-01, -4.0D-20, r^2= 2.8D-02 574 MO Center= 1.3D-01, 1.8D+00, 5.4D-18, r^2= 3.3D-02 581 MO Center= -4.5D-01, 5.6D-01, 1.0D-17, r^2= 3.3D-02 588 MO Center= 1.8D-02, -1.4D+00, 1.5D-16, r^2= 5.4D-01 598 MO Center= -8.6D-02, 8.9D-01, 1.7D-15, r^2= 1.4D+00 608 MO Center= 1.2D-01, 6.3D-01, 2.6D-16, r^2= 2.6D+00 618 MO Center= 1.1D-01, 1.7D-01, 8.9D-17, r^2= 2.6D+00 628 MO Center= 2.8D-01, 2.8D-01, -1.6D-16, r^2= 2.8D+00 638 MO Center= -1.9D-01, 3.3D-01, 5.4D-17, r^2= 4.1D+00 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/acr_lcblyp/ |
H A D | acr_lcblyp.out | 562 MO Center= -1.2D-01, -1.8D+00, -4.6D-20, r^2= 1.5D-02 568 MO Center= 3.5D-01, -6.7D-01, -4.0D-20, r^2= 2.8D-02 574 MO Center= 1.3D-01, 1.8D+00, 5.4D-18, r^2= 3.3D-02 581 MO Center= -4.5D-01, 5.6D-01, 1.0D-17, r^2= 3.3D-02 588 MO Center= 1.8D-02, -1.4D+00, 1.5D-16, r^2= 5.4D-01 598 MO Center= -8.6D-02, 8.9D-01, 1.7D-15, r^2= 1.4D+00 608 MO Center= 1.2D-01, 6.3D-01, 2.6D-16, r^2= 2.6D+00 618 MO Center= 1.1D-01, 1.7D-01, 8.9D-17, r^2= 2.6D+00 628 MO Center= 2.8D-01, 2.8D-01, -1.6D-16, r^2= 2.8D+00 638 MO Center= -1.9D-01, 3.3D-01, 5.4D-17, r^2= 4.1D+00 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/dft_cr2/ |
H A D | dft_cr2.out | 697 MO Center= -1.8D-18, 2.6D-18, -4.9D-19, r^2= 1.5D-03 703 MO Center= -7.2D-19, 2.2D-18, 1.3D-17, r^2= 2.9D-02 710 MO Center= -7.5D-18, -7.5D-18, -1.4D-17, r^2= 2.3D-02 716 MO Center= -2.4D-27, -4.5D-30, -1.6D-17, r^2= 2.3D-02 722 MO Center= -4.5D-30, -2.4D-28, 1.6D-18, r^2= 2.3D-02 728 MO Center= 1.9D-18, -2.2D-18, 1.3D-16, r^2= 2.7D-01 735 MO Center= 5.0D-33, 6.3D-27, 6.5D-17, r^2= 3.1D-01 742 MO Center= 2.0D-26, 3.4D-33, 9.8D-17, r^2= 3.1D-01 749 MO Center= -2.7D-16, -2.7D-16, 4.2D-16, r^2= 3.1D-01 756 MO Center= -9.0D-19, 7.0D-18, -4.2D-15, r^2= 3.7D+00 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/dft_cr2/ |
H A D | dft_cr2.out | 697 MO Center= -1.8D-18, 2.6D-18, -4.9D-19, r^2= 1.5D-03 703 MO Center= -7.2D-19, 2.2D-18, 1.3D-17, r^2= 2.9D-02 710 MO Center= -7.5D-18, -7.5D-18, -1.4D-17, r^2= 2.3D-02 716 MO Center= -2.4D-27, -4.5D-30, -1.6D-17, r^2= 2.3D-02 722 MO Center= -4.5D-30, -2.4D-28, 1.6D-18, r^2= 2.3D-02 728 MO Center= 1.9D-18, -2.2D-18, 1.3D-16, r^2= 2.7D-01 735 MO Center= 5.0D-33, 6.3D-27, 6.5D-17, r^2= 3.1D-01 742 MO Center= 2.0D-26, 3.4D-33, 9.8D-17, r^2= 3.1D-01 749 MO Center= -2.7D-16, -2.7D-16, 4.2D-16, r^2= 3.1D-01 756 MO Center= -9.0D-19, 7.0D-18, -4.2D-15, r^2= 3.7D+00 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/au2-sarc-zora-mp/ |
H A D | au2-sarc-zora-mp.out | 682 MO Center= -1.8D-45, -1.6D-45, 2.8D-16, r^2= 1.6D+00 692 MO Center= -9.3D-46, 7.1D-45, -2.8D-16, r^2= 1.6D+00 702 MO Center= 3.0D-41, -1.6D-42, -2.0D-16, r^2= 1.6D+00 712 MO Center= -3.1D-41, 4.1D-41, 6.3D-17, r^2= 1.6D+00 722 MO Center= -1.4D-16, -5.8D-17, 5.3D-09, r^2= 1.6D+00 732 MO Center= -4.7D-17, 1.2D-16, 3.0D-09, r^2= 1.6D+00 742 MO Center= 4.4D-18, -1.8D-18, -1.1D-09, r^2= 1.6D+00 752 MO Center= 1.2D-17, 3.0D-17, -7.2D-09, r^2= 1.6D+00 762 MO Center= 1.9D-16, -5.8D-17, -1.4D-10, r^2= 1.6D+00 770 MO Center= -1.7D-17, -2.9D-17, 1.4D-10, r^2= 1.6D+00 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/au2-sarc-zora-mp/ |
H A D | au2-sarc-zora-mp.out | 682 MO Center= -1.8D-45, -1.6D-45, 2.8D-16, r^2= 1.6D+00 692 MO Center= -9.3D-46, 7.1D-45, -2.8D-16, r^2= 1.6D+00 702 MO Center= 3.0D-41, -1.6D-42, -2.0D-16, r^2= 1.6D+00 712 MO Center= -3.1D-41, 4.1D-41, 6.3D-17, r^2= 1.6D+00 722 MO Center= -1.4D-16, -5.8D-17, 5.3D-09, r^2= 1.6D+00 732 MO Center= -4.7D-17, 1.2D-16, 3.0D-09, r^2= 1.6D+00 742 MO Center= 4.4D-18, -1.8D-18, -1.1D-09, r^2= 1.6D+00 752 MO Center= 1.2D-17, 3.0D-17, -7.2D-09, r^2= 1.6D+00 762 MO Center= 1.9D-16, -5.8D-17, -1.4D-10, r^2= 1.6D+00 770 MO Center= -1.7D-17, -2.9D-17, 1.4D-10, r^2= 1.6D+00 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_mx_nwdft_4n/ |
H A D | nwxc_mx_nwdft_4n.out | 1506 MO Center= -4.2D-18, -6.0D-19, 1.2D-17, r^2= 2.0D-02 1512 MO Center= 2.8D-17, 1.1D-16, 1.2D-17, r^2= 5.9D-01 1519 MO Center= 1.7D-17, -6.1D-17, -9.6D-17, r^2= 7.5D-01 1527 MO Center= 6.3D-17, -8.5D-17, -2.8D-17, r^2= 7.5D-01 1534 MO Center= -1.7D-16, -1.4D-16, -9.6D-18, r^2= 7.5D-01 1541 MO Center= -3.4D-16, 5.5D-16, -1.2D-15, r^2= 2.1D+00 1549 MO Center= -2.6D-17, -2.3D-17, -7.6D-18, r^2= 2.1D+00 1556 MO Center= 2.7D-17, 1.2D-16, 3.6D-17, r^2= 2.1D+00 1564 MO Center= 4.9D-16, -6.7D-16, 1.0D-15, r^2= 1.8D+00 1572 MO Center= 1.1D-16, -2.6D-16, -9.5D-17, r^2= 7.0D-01 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_mx_nwdft_4n/ |
H A D | nwxc_mx_nwdft_4n.out | 1506 MO Center= -4.2D-18, -6.0D-19, 1.2D-17, r^2= 2.0D-02 1512 MO Center= 2.8D-17, 1.1D-16, 1.2D-17, r^2= 5.9D-01 1519 MO Center= 1.7D-17, -6.1D-17, -9.6D-17, r^2= 7.5D-01 1527 MO Center= 6.3D-17, -8.5D-17, -2.8D-17, r^2= 7.5D-01 1534 MO Center= -1.7D-16, -1.4D-16, -9.6D-18, r^2= 7.5D-01 1541 MO Center= -3.4D-16, 5.5D-16, -1.2D-15, r^2= 2.1D+00 1549 MO Center= -2.6D-17, -2.3D-17, -7.6D-18, r^2= 2.1D+00 1556 MO Center= 2.7D-17, 1.2D-16, 3.6D-17, r^2= 2.1D+00 1564 MO Center= 4.9D-16, -6.7D-16, 1.0D-15, r^2= 1.8D+00 1572 MO Center= 1.1D-16, -2.6D-16, -9.5D-17, r^2= 7.0D-01 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/cosmo_h2cco2na/ |
H A D | cosmo_h2cco2na.out | 879 MO Center= -9.2D-24, 7.0D-22, -1.9D+00, r^2= 7.7D-03 885 MO Center= -6.9D-18, 4.0D-12, -1.8D-02, r^2= 1.3D+00 891 MO Center= -3.3D-21, -4.0D-12, -1.8D-02, r^2= 1.3D+00 897 MO Center= 6.5D-21, -1.6D-17, 5.8D-01, r^2= 2.8D-02 903 MO Center= 4.2D-21, 4.0D-18, 2.0D+00, r^2= 2.8D-02 909 MO Center= 6.3D-18, 3.2D-18, -1.9D+00, r^2= 2.1D-01 915 MO Center= -1.2D-16, -6.7D-16, -1.8D+00, r^2= 4.4D-01 925 MO Center= 1.5D-16, 4.0D-17, -1.9D+00, r^2= 2.4D-01 931 MO Center= 4.4D-17, 4.0D-16, -1.9D+00, r^2= 2.5D-01 937 MO Center= -8.6D-17, -7.0D-15, 8.4D-02, r^2= 1.3D+00 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/cosmo_h2cco2na/ |
H A D | cosmo_h2cco2na.out | 879 MO Center= -9.2D-24, 7.0D-22, -1.9D+00, r^2= 7.7D-03 885 MO Center= -6.9D-18, 4.0D-12, -1.8D-02, r^2= 1.3D+00 891 MO Center= -3.3D-21, -4.0D-12, -1.8D-02, r^2= 1.3D+00 897 MO Center= 6.5D-21, -1.6D-17, 5.8D-01, r^2= 2.8D-02 903 MO Center= 4.2D-21, 4.0D-18, 2.0D+00, r^2= 2.8D-02 909 MO Center= 6.3D-18, 3.2D-18, -1.9D+00, r^2= 2.1D-01 915 MO Center= -1.2D-16, -6.7D-16, -1.8D+00, r^2= 4.4D-01 925 MO Center= 1.5D-16, 4.0D-17, -1.9D+00, r^2= 2.4D-01 931 MO Center= 4.4D-17, 4.0D-16, -1.9D+00, r^2= 2.5D-01 937 MO Center= -8.6D-17, -7.0D-15, 8.4D-02, r^2= 1.3D+00 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/metagga_li4h4_0_m062x_m06/ |
H A D | metagga_li4h4_0_m062x_m06.out | 918 MO Center= 1.6D-05, 1.5D-05, 4.8D-05, r^2= 2.4D+00 928 MO Center= 9.3D-04, -9.3D-04, 8.7D-01, r^2= 1.6D+00 938 MO Center= 4.2D-01, 4.2D-01, -1.2D-01, r^2= 2.0D+00 948 MO Center= -4.2D-01, -4.2D-01, -7.5D-01, r^2= 1.5D+00 958 MO Center= 2.6D-07, 2.5D-07, 9.4D-07, r^2= 3.2D+00 968 MO Center= 4.3D-01, 4.2D-01, 7.3D-01, r^2= 3.0D+00 978 MO Center= -4.1D-01, -4.4D-01, 1.3D-01, r^2= 3.5D+00 988 MO Center= -1.9D-02, 1.9D-02, -8.6D-01, r^2= 3.1D+00 998 MO Center= -2.8D-06, -9.8D-06, -1.2D-05, r^2= 2.1D+01 1008 MO Center= -8.9D-01, -1.0D+00, -1.3D+00, r^2= 1.8D+01 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/metagga_li4h4_0_m062x_m06/ |
H A D | metagga_li4h4_0_m062x_m06.out | 918 MO Center= 1.6D-05, 1.5D-05, 4.8D-05, r^2= 2.4D+00 928 MO Center= 9.3D-04, -9.3D-04, 8.7D-01, r^2= 1.6D+00 938 MO Center= 4.2D-01, 4.2D-01, -1.2D-01, r^2= 2.0D+00 948 MO Center= -4.2D-01, -4.2D-01, -7.5D-01, r^2= 1.5D+00 958 MO Center= 2.6D-07, 2.5D-07, 9.4D-07, r^2= 3.2D+00 968 MO Center= 4.3D-01, 4.2D-01, 7.3D-01, r^2= 3.0D+00 978 MO Center= -4.1D-01, -4.4D-01, 1.3D-01, r^2= 3.5D+00 988 MO Center= -1.9D-02, 1.9D-02, -8.6D-01, r^2= 3.1D+00 998 MO Center= -2.8D-06, -9.8D-06, -1.2D-05, r^2= 2.1D+01 1008 MO Center= -8.9D-01, -1.0D+00, -1.3D+00, r^2= 1.8D+01 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/c60_ecp/ |
H A D | c60_ecp.out | 917 MO Center= 3.3D-16, 2.2D-16, 2.8D-16, r^2= 1.2D+01 927 MO Center= -1.7D-16, 1.4D-17, 2.8D-17, r^2= 1.2D+01 935 MO Center= -5.4D-16, -3.6D-16, -4.2D-16, r^2= 1.2D+01 943 MO Center= -1.2D-16, -2.8D-16, -2.1D-16, r^2= 1.2D+01 951 MO Center= -1.8D-16, -6.9D-17, 5.0D-16, r^2= 1.2D+01 961 MO Center= 7.5D-15, -1.9D-15, -8.1D-15, r^2= 1.2D+01 967 MO Center= -8.9D-15, 7.1D-15, 1.5D-15, r^2= 1.2D+01 974 MO Center= 8.3D-17, 1.9D-16, -1.4D-16, r^2= 1.2D+01 981 MO Center= 5.6D-15, -3.4D-15, 2.3D-15, r^2= 1.2D+01 988 MO Center= 5.9D-15, -1.1D-16, -9.3D-15, r^2= 1.2D+01 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/c60_ecp/ |
H A D | c60_ecp.out | 917 MO Center= 3.3D-16, 2.2D-16, 2.8D-16, r^2= 1.2D+01 927 MO Center= -1.7D-16, 1.4D-17, 2.8D-17, r^2= 1.2D+01 935 MO Center= -5.4D-16, -3.6D-16, -4.2D-16, r^2= 1.2D+01 943 MO Center= -1.2D-16, -2.8D-16, -2.1D-16, r^2= 1.2D+01 951 MO Center= -1.8D-16, -6.9D-17, 5.0D-16, r^2= 1.2D+01 961 MO Center= 7.5D-15, -1.9D-15, -8.1D-15, r^2= 1.2D+01 967 MO Center= -8.9D-15, 7.1D-15, 1.5D-15, r^2= 1.2D+01 974 MO Center= 8.3D-17, 1.9D-16, -1.4D-16, r^2= 1.2D+01 981 MO Center= 5.6D-15, -3.4D-15, 2.3D-15, r^2= 1.2D+01 988 MO Center= 5.9D-15, -1.1D-16, -9.3D-15, r^2= 1.2D+01 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_nwdft_4as/ |
H A D | nwxc_nwdft_4as.out | 1611 MO Center= 4.9D-17, -4.0D-17, 6.4D-18, r^2= 1.1D-02 1617 MO Center= -3.2D-16, 3.6D-17, -2.0D-16, r^2= 1.2D-01 1623 MO Center= 3.4D-16, -1.1D-16, 6.2D-17, r^2= 1.3D-01 1630 MO Center= 1.4D-17, -2.8D-17, -5.8D-17, r^2= 1.3D-01 1637 MO Center= -2.3D-17, 4.3D-17, 2.4D-17, r^2= 1.3D-01 1645 MO Center= 7.1D-18, -1.4D-17, 8.2D-17, r^2= 1.7D-01 1653 MO Center= -8.5D-17, 4.7D-17, 3.0D-17, r^2= 1.7D-01 1660 MO Center= 1.5D-17, 1.0D-17, -2.5D-17, r^2= 1.7D-01 1668 MO Center= 1.0D-16, 2.7D-17, -5.4D-17, r^2= 1.7D-01 1676 MO Center= -2.9D-16, -2.6D-16, 1.3D-17, r^2= 1.7D-01 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_nwdft_4as/ |
H A D | nwxc_nwdft_4as.out | 1611 MO Center= 4.9D-17, -4.0D-17, 6.4D-18, r^2= 1.1D-02 1617 MO Center= -3.2D-16, 3.6D-17, -2.0D-16, r^2= 1.2D-01 1623 MO Center= 3.4D-16, -1.1D-16, 6.2D-17, r^2= 1.3D-01 1630 MO Center= 1.4D-17, -2.8D-17, -5.8D-17, r^2= 1.3D-01 1637 MO Center= -2.3D-17, 4.3D-17, 2.4D-17, r^2= 1.3D-01 1645 MO Center= 7.1D-18, -1.4D-17, 8.2D-17, r^2= 1.7D-01 1653 MO Center= -8.5D-17, 4.7D-17, 3.0D-17, r^2= 1.7D-01 1660 MO Center= 1.5D-17, 1.0D-17, -2.5D-17, r^2= 1.7D-01 1668 MO Center= 1.0D-16, 2.7D-17, -5.4D-17, r^2= 1.7D-01 1676 MO Center= -2.9D-16, -2.6D-16, 1.3D-17, r^2= 1.7D-01 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_nwdft_4sb/ |
H A D | nwxc_nwdft_4sb.out | 1637 MO Center= 1.6D-17, 1.0D-16, -8.2D-16, r^2= 3.1D-02 1645 MO Center= -3.7D-16, 2.8D-15, 2.1D-15, r^2= 2.1D-01 1652 MO Center= 4.8D-16, 1.3D-15, 5.4D-16, r^2= 2.4D-01 1660 MO Center= -6.2D-16, -1.8D-15, -6.0D-16, r^2= 2.4D-01 1668 MO Center= -1.1D-16, 1.7D-15, 2.1D-15, r^2= 2.4D-01 1677 MO Center= -2.8D-16, -1.8D-16, 3.5D-18, r^2= 3.5D-01 1686 MO Center= -1.6D-16, -2.3D-16, -4.8D-17, r^2= 3.5D-01 1695 MO Center= -4.6D-16, 1.3D-16, -2.6D-16, r^2= 3.5D-01 1703 MO Center= 3.6D-16, -8.5D-16, -5.0D-16, r^2= 3.5D-01 1712 MO Center= 7.6D-16, -1.4D-16, -7.5D-16, r^2= 3.5D-01 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_nwdft_4sb/ |
H A D | nwxc_nwdft_4sb.out | 1637 MO Center= 1.6D-17, 1.0D-16, -8.2D-16, r^2= 3.1D-02 1645 MO Center= -3.7D-16, 2.8D-15, 2.1D-15, r^2= 2.1D-01 1652 MO Center= 4.8D-16, 1.3D-15, 5.4D-16, r^2= 2.4D-01 1660 MO Center= -6.2D-16, -1.8D-15, -6.0D-16, r^2= 2.4D-01 1668 MO Center= -1.1D-16, 1.7D-15, 2.1D-15, r^2= 2.4D-01 1677 MO Center= -2.8D-16, -1.8D-16, 3.5D-18, r^2= 3.5D-01 1686 MO Center= -1.6D-16, -2.3D-16, -4.8D-17, r^2= 3.5D-01 1695 MO Center= -4.6D-16, 1.3D-16, -2.6D-16, r^2= 3.5D-01 1703 MO Center= 3.6D-16, -8.5D-16, -5.0D-16, r^2= 3.5D-01 1712 MO Center= 7.6D-16, -1.4D-16, -7.5D-16, r^2= 3.5D-01 [all …]
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/dports/math/vtk8/VTK-8.2.0/Filters/Sources/ |
H A D | vtkSphereSource.cxx | 39 this->Center[0] = 0.0; in vtkSphereSource() 40 this->Center[1] = 0.0; in vtkSphereSource() 41 this->Center[2] = 0.0; in vtkSphereSource() 151 x[0] = this->Center[0]; in RequestData() 152 x[1] = this->Center[1]; in RequestData() 164 x[0] = this->Center[0]; in RequestData() 165 x[1] = this->Center[1]; in RequestData() 212 x[0] = n[0] + this->Center[0]; in RequestData() 213 x[1] = n[1] + this->Center[1]; in RequestData() 214 x[2] = n[2] + this->Center[2]; in RequestData() [all …]
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