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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/dft_scan/
H A Ddft_scan.out477 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/dft_scan/
H A Ddft_scan.out477 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 …]
/dports/graphics/megapov/megapov-1.2.1/source/
H A Dspheres.cpp287 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 …]
/dports/graphics/povray36/povray-3.6.1/source/
H A Dspheres.cpp282 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/uo2_ecp/
H A Duo2_ecp.out611 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/uo2_ecp/
H A Duo2_ecp.out611 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/acr_lcblyp/
H A Dacr_lcblyp.out562 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/acr_lcblyp/
H A Dacr_lcblyp.out562 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/dft_cr2/
H A Ddft_cr2.out697 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/dft_cr2/
H A Ddft_cr2.out697 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/au2-sarc-zora-mp/
H A Dau2-sarc-zora-mp.out682 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/au2-sarc-zora-mp/
H A Dau2-sarc-zora-mp.out682 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_mx_nwdft_4n/
H A Dnwxc_mx_nwdft_4n.out1506 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_mx_nwdft_4n/
H A Dnwxc_mx_nwdft_4n.out1506 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/cosmo_h2cco2na/
H A Dcosmo_h2cco2na.out879 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/cosmo_h2cco2na/
H A Dcosmo_h2cco2na.out879 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/metagga_li4h4_0_m062x_m06/
H A Dmetagga_li4h4_0_m062x_m06.out918 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/metagga_li4h4_0_m062x_m06/
H A Dmetagga_li4h4_0_m062x_m06.out918 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/c60_ecp/
H A Dc60_ecp.out917 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/c60_ecp/
H A Dc60_ecp.out917 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_nwdft_4as/
H A Dnwxc_nwdft_4as.out1611 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_nwdft_4as/
H A Dnwxc_nwdft_4as.out1611 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_nwdft_4sb/
H A Dnwxc_nwdft_4sb.out1637 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_nwdft_4sb/
H A Dnwxc_nwdft_4sb.out1637 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 …]
/dports/math/vtk8/VTK-8.2.0/Filters/Sources/
H A DvtkSphereSource.cxx39 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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