/dports/graphics/blender/blender-2.91.0/intern/cycles/kernel/shaders/ |
H A D | node_vector_rotate.osl | 23 point Center = point(0.0, 0.0, 0.0), 31 VectorOut = transform(rmat, VectorIn - Center) + Center; 36 VectorOut = rotate(VectorIn - Center, a, point(0.0), vector(1.0, 0.0, 0.0)) + Center; 39 VectorOut = rotate(VectorIn - Center, a, point(0.0), vector(0.0, 1.0, 0.0)) + Center; 42 VectorOut = rotate(VectorIn - Center, a, point(0.0), vector(0.0, 0.0, 1.0)) + Center; 45 VectorOut = (length(Axis) != 0.0) ? rotate(VectorIn - Center, a, point(0.0), Axis) + Center :
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/dports/cad/opencascade/opencascade-7.6.0/src/Geom2dGcc/ |
H A D | Geom2dGcc_Circ2d2TanOnGeo.cxx | 151 gp_Pnt2d Center(Intp.Point(j).Value()); in Geom2dGcc_Circ2d2TanOnGeo() local 253 pntcen(NbrSol) = Center; in Geom2dGcc_Circ2d2TanOnGeo() 359 gp_Pnt2d Center(Intp.Point(j).Value()); in Geom2dGcc_Circ2d2TanOnGeo() local 372 Radius = L2.Distance(Center); in Geom2dGcc_Circ2d2TanOnGeo() 432 pntcen(NbrSol) = Center; in Geom2dGcc_Circ2d2TanOnGeo() 587 pntcen(NbrSol) = Center; in Geom2dGcc_Circ2d2TanOnGeo() 704 Radius = Center.Distance(Point2); in Geom2dGcc_Circ2d2TanOnGeo() 746 pntcen(NbrSol) = Center; in Geom2dGcc_Circ2d2TanOnGeo() 845 gp_Pnt2d Center(Intp.Point(j).Value()); in Geom2dGcc_Circ2d2TanOnGeo() local 888 pntcen(NbrSol) = Center; in Geom2dGcc_Circ2d2TanOnGeo() [all …]
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/dports/math/vtk6/VTK-6.2.0/Filters/Sources/ |
H A D | vtkCubeSource.cxx | 37 this->Center[0] = 0.0; in vtkCubeSource() 38 this->Center[1] = 0.0; in vtkCubeSource() 39 this->Center[2] = 0.0; in vtkCubeSource() 101 for (x[1]=this->Center[1]-this->YLength/2.0, j=0; j<2; in RequestData() 105 for (x[2]=this->Center[2]-this->ZLength/2.0, k=0; k<2; in RequestData() 123 for (x[0]=this->Center[0]-this->XLength/2.0, j=0; j<2; in RequestData() 127 for (x[2]=this->Center[2]-this->ZLength/2.0, k=0; k<2; in RequestData() 145 for (x[1]=this->Center[1]-this->YLength/2.0, j=0; j<2; in RequestData() 149 for (x[0]=this->Center[0]-this->XLength/2.0, k=0; k<2; in RequestData() 214 os << indent << "Center: (" << this->Center[0] << ", " in PrintSelf() [all …]
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/dports/cad/kicad-devel/kicad-a17a58203b33e08b966075833b177dad5740c236/libs/kimath/include/geometry/ |
H A D | shape_circle.h | 73 return BOX2I( m_circle.Center - rc, rc * 2 ); 80 VECTOR2I pn = aSeg.NearestPoint( m_circle.Center ); 81 ecoord dist_sq = ( pn - m_circle.Center ).SquaredEuclideanNorm(); 104 m_circle.Center = aCenter; in SetCenter() 114 return m_circle.Center; in GetCenter() 124 m_circle.Center += aVector; in Move() 129 m_circle.Center -= aCenter; 130 m_circle.Center = m_circle.Center.Rotate( aAngle ); 131 m_circle.Center += aCenter;
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_ad_nwdft_4sb/ |
H A D | nwxc_ad_nwdft_4sb.out | 1574 MO Center= -9.4D-17, -1.2D-16, 4.5D-17, r^2= 3.1D-02 1582 MO Center= 6.2D-16, -3.7D-17, 4.5D-16, r^2= 2.1D-01 1589 MO Center= 1.7D-16, -5.7D-16, 1.2D-16, r^2= 2.4D-01 1597 MO Center= 7.7D-17, -1.7D-16, -7.9D-17, r^2= 2.4D-01 1605 MO Center= 1.4D-16, -3.7D-17, 5.1D-16, r^2= 2.4D-01 1613 MO Center= 3.0D-16, 2.8D-16, -3.6D-16, r^2= 3.5D-01 1622 MO Center= -7.3D-17, 3.5D-16, -1.2D-16, r^2= 3.5D-01 1632 MO Center= -1.1D-16, 3.3D-16, -4.6D-17, r^2= 3.5D-01 1641 MO Center= 1.7D-15, -7.6D-16, -9.3D-16, r^2= 3.5D-01 1649 MO Center= -6.5D-17, 7.3D-17, -5.9D-16, r^2= 3.5D-01 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_ad_nwdft_4sb/ |
H A D | nwxc_ad_nwdft_4sb.out | 1574 MO Center= -9.4D-17, -1.2D-16, 4.5D-17, r^2= 3.1D-02 1582 MO Center= 6.2D-16, -3.7D-17, 4.5D-16, r^2= 2.1D-01 1589 MO Center= 1.7D-16, -5.7D-16, 1.2D-16, r^2= 2.4D-01 1597 MO Center= 7.7D-17, -1.7D-16, -7.9D-17, r^2= 2.4D-01 1605 MO Center= 1.4D-16, -3.7D-17, 5.1D-16, r^2= 2.4D-01 1613 MO Center= 3.0D-16, 2.8D-16, -3.6D-16, r^2= 3.5D-01 1622 MO Center= -7.3D-17, 3.5D-16, -1.2D-16, r^2= 3.5D-01 1632 MO Center= -1.1D-16, 3.3D-16, -4.6D-17, r^2= 3.5D-01 1641 MO Center= 1.7D-15, -7.6D-16, -9.3D-16, r^2= 3.5D-01 1649 MO Center= -6.5D-17, 7.3D-17, -5.9D-16, r^2= 3.5D-01 [all …]
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/dports/graphics/clutter/clutter-1.26.4/tests/interactive/ |
H A D | test-bind-constraint.c | 12 West, Center, East, enumerator 64 north_offset = (clutter_actor_get_height (rects[Center]) + V_PADDING) in on_button_release() 66 south_offset = (clutter_actor_get_height (rects[Center]) + V_PADDING); in on_button_release() 68 west_offset = (clutter_actor_get_width (rects[Center]) + H_PADDING) in on_button_release() 70 east_offset = (clutter_actor_get_width (rects[Center]) + H_PADDING); in on_button_release() 98 clutter_actor_animate (rects[Center], CLUTTER_LINEAR, 500, in on_button_release() 130 clutter_actor_animate (rects[Center], CLUTTER_LINEAR, 500, in on_button_release() 137 if (i == Center) in on_button_release() 190 clutter_actor_set_name (rect, names[Center]); in test_bind_constraint_main() 212 rects[Center] = rect; in test_bind_constraint_main() [all …]
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/dports/x11-wm/mutter/mutter-41.1/src/tests/clutter/interactive/ |
H A D | test-bind-constraint.c | 14 West, Center, East, enumerator 72 north_offset = (clutter_actor_get_height (rects[Center]) + V_PADDING) in on_button_release() 74 south_offset = (clutter_actor_get_height (rects[Center]) + V_PADDING); in on_button_release() 76 west_offset = (clutter_actor_get_width (rects[Center]) + H_PADDING) in on_button_release() 78 east_offset = (clutter_actor_get_width (rects[Center]) + H_PADDING); in on_button_release() 106 clutter_actor_animate (rects[Center], CLUTTER_LINEAR, 500, in on_button_release() 138 clutter_actor_animate (rects[Center], CLUTTER_LINEAR, 500, in on_button_release() 145 if (i == Center) in on_button_release() 196 clutter_actor_set_name (rect, names[Center]); in test_bind_constraint_main() 218 rects[Center] = rect; in test_bind_constraint_main() [all …]
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/dports/x11-wm/muffin/muffin-4.8.0/clutter/tests/interactive/ |
H A D | test-bind-constraint.c | 12 West, Center, East, enumerator 64 north_offset = (clutter_actor_get_height (rects[Center]) + V_PADDING) in on_button_release() 66 south_offset = (clutter_actor_get_height (rects[Center]) + V_PADDING); in on_button_release() 68 west_offset = (clutter_actor_get_width (rects[Center]) + H_PADDING) in on_button_release() 70 east_offset = (clutter_actor_get_width (rects[Center]) + H_PADDING); in on_button_release() 98 clutter_actor_animate (rects[Center], CLUTTER_LINEAR, 500, in on_button_release() 130 clutter_actor_animate (rects[Center], CLUTTER_LINEAR, 500, in on_button_release() 137 if (i == Center) in on_button_release() 190 clutter_actor_set_name (rect, names[Center]); in test_bind_constraint_main() 212 rects[Center] = rect; in test_bind_constraint_main() [all …]
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/dports/cad/opencascade/opencascade-7.6.0/src/GccAna/ |
H A D | GccAna_Circ2d2TanRad_2.cxx | 142 cirsol(1) = gp_Circ2d(gp_Ax2d(Center,dirx),Radius); in GccAna_Circ2d2TanRad() 144 if (Abs(Center.Distance(center1)-R1) < Tol) { in GccAna_Circ2d2TanRad() 149 pnttg1sol(1) = gp_Pnt2d(Center.XY()-Radius*dir1.XY()); in GccAna_Circ2d2TanRad() 182 gp_Pnt2d Center(Intp.Point(i).Value()); in GccAna_Circ2d2TanRad() local 185 Standard_Real distcc1 = center1.Distance(Center); in GccAna_Circ2d2TanRad() 197 dir1 = gp_Dir2d(Center.XY()-center1.XY()); in GccAna_Circ2d2TanRad() 199 gp_Dir2d dir2(Center.XY()-Point2.XY()); in GccAna_Circ2d2TanRad() 201 if ((Center.Distance(center1) > C1.Radius()) && in GccAna_Circ2d2TanRad() 202 (Radius < Center.Distance(center1)+C1.Radius())) { in GccAna_Circ2d2TanRad() 220 gp_Pnt2d Center(center1.XY()+deport*dir1.XY()); in GccAna_Circ2d2TanRad() local [all …]
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H A D | GccAna_Circ2dTanOnRad.cxx | 89 gp_Pnt2d Center; in GccAna_Circ2dTanOnRad() local 109 Center = gp_Pnt2d(x1-ydir*dist,y1+xdir*dist); in GccAna_Circ2dTanOnRad() 111 else { Center = gp_Pnt2d(x1+ydir*dist,y1-xdir*dist); } in GccAna_Circ2dTanOnRad() 128 Center = gp_Pnt2d(x1-ydir*dist,y1+xdir*dist); in GccAna_Circ2dTanOnRad() 147 Center = gp_Pnt2d(x1-ydir*dist,y1+xdir*dist); in GccAna_Circ2dTanOnRad() 170 Standard_Real distcc1 = Center.Distance(center1); in GccAna_Circ2dTanOnRad() 183 gp_Dir2d dir1cen(Center.X()-x1,Center.Y()-y1); in GccAna_Circ2dTanOnRad() 221 Center = gp_Pnt2d(xc,yc); in GccAna_Circ2dTanOnRad() 222 if (OnLine.Distance(Center)>Tol) in GccAna_Circ2dTanOnRad() 227 Standard_Real distcc1 = Center.Distance(center1); in GccAna_Circ2dTanOnRad() [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/metagga_li4h4_1_pkzb_pkzb/ |
H A D | metagga_li4h4_1_pkzb_pkzb.out | 496 MO Center= 1.2D+00, 8.4D-01, -1.2D+00, r^2= 2.9D-01 502 MO Center= -1.2D+00, 8.3D-01, 1.2D+00, r^2= 2.9D-01 508 MO Center= -2.7D-01, -1.0D+00, -2.7D-01, r^2= 1.6D+00 515 MO Center= 2.3D-01, -1.0D+00, 2.2D-01, r^2= 1.6D+00 522 MO Center= 3.1D-02, 1.2D+00, 3.8D-02, r^2= 1.0D+00 529 MO Center= -1.6D-02, -6.7D-01, -1.3D-02, r^2= 2.7D+00 537 MO Center= -1.1D-02, -7.3D-01, -2.0D-02, r^2= 3.0D+00 546 MO Center= 1.5D-02, 8.6D-01, 2.1D-02, r^2= 4.2D+00 556 MO Center= 1.0D-02, 6.3D-01, 1.2D-02, r^2= 1.0D+01 566 MO Center= 3.5D-02, 1.5D+00, 3.2D-02, r^2= 9.0D+00 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/metagga_li4h4_1_vs98_vs98/ |
H A D | metagga_li4h4_1_vs98_vs98.out | 499 MO Center= 1.2D+00, 8.4D-01, -1.2D+00, r^2= 1.5D-01 505 MO Center= -1.2D+00, 8.3D-01, 1.2D+00, r^2= 1.5D-01 511 MO Center= -1.8D-01, -1.0D+00, -1.8D-01, r^2= 1.7D+00 518 MO Center= 1.4D-01, -1.0D+00, 1.3D-01, r^2= 1.7D+00 525 MO Center= 3.2D-02, 1.3D+00, 3.9D-02, r^2= 9.5D-01 532 MO Center= -1.8D-02, -7.3D-01, -1.4D-02, r^2= 2.6D+00 541 MO Center= -1.0D-02, -7.4D-01, -2.2D-02, r^2= 3.0D+00 550 MO Center= 1.5D-02, 8.7D-01, 2.1D-02, r^2= 4.0D+00 560 MO Center= -3.6D-03, 3.7D-01, 1.0D-03, r^2= 9.5D+00 570 MO Center= 1.4D-01, 1.4D+00, -1.3D-02, r^2= 8.9D+00 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/metagga_li4h4_1_pkzb_pkzb/ |
H A D | metagga_li4h4_1_pkzb_pkzb.out | 496 MO Center= 1.2D+00, 8.4D-01, -1.2D+00, r^2= 2.9D-01 502 MO Center= -1.2D+00, 8.3D-01, 1.2D+00, r^2= 2.9D-01 508 MO Center= -2.7D-01, -1.0D+00, -2.7D-01, r^2= 1.6D+00 515 MO Center= 2.3D-01, -1.0D+00, 2.2D-01, r^2= 1.6D+00 522 MO Center= 3.1D-02, 1.2D+00, 3.8D-02, r^2= 1.0D+00 529 MO Center= -1.6D-02, -6.7D-01, -1.3D-02, r^2= 2.7D+00 537 MO Center= -1.1D-02, -7.3D-01, -2.0D-02, r^2= 3.0D+00 546 MO Center= 1.5D-02, 8.6D-01, 2.1D-02, r^2= 4.2D+00 556 MO Center= 1.0D-02, 6.3D-01, 1.2D-02, r^2= 1.0D+01 566 MO Center= 3.5D-02, 1.5D+00, 3.2D-02, r^2= 9.0D+00 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/metagga_li4h4_1_vs98_vs98/ |
H A D | metagga_li4h4_1_vs98_vs98.out | 499 MO Center= 1.2D+00, 8.4D-01, -1.2D+00, r^2= 1.5D-01 505 MO Center= -1.2D+00, 8.3D-01, 1.2D+00, r^2= 1.5D-01 511 MO Center= -1.8D-01, -1.0D+00, -1.8D-01, r^2= 1.7D+00 518 MO Center= 1.4D-01, -1.0D+00, 1.3D-01, r^2= 1.7D+00 525 MO Center= 3.2D-02, 1.3D+00, 3.9D-02, r^2= 9.5D-01 532 MO Center= -1.8D-02, -7.3D-01, -1.4D-02, r^2= 2.6D+00 541 MO Center= -1.0D-02, -7.4D-01, -2.2D-02, r^2= 3.0D+00 550 MO Center= 1.5D-02, 8.7D-01, 2.1D-02, r^2= 4.0D+00 560 MO Center= -3.6D-03, 3.7D-01, 1.0D-03, r^2= 9.5D+00 570 MO Center= 1.4D-01, 1.4D+00, -1.3D-02, r^2= 8.9D+00 [all …]
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/dports/devel/py-cclib/cclib-1.7.1/data/NWChem/basicNWChem6.1/ |
H A D | C_bigbasis_spherical.out | 330 MO Center= 2.3D-16, -3.3D-17, 2.1D-19, r^2= 2.7D-02 336 MO Center= -1.0D-14, 1.6D-14, 1.1D-15, r^2= 8.4D-01 343 MO Center= 7.3D-14, -1.2D-13, 1.1D-14, r^2= 1.2D+00 351 MO Center= -1.1D-14, 1.6D-14, -1.8D-14, r^2= 4.7D+00 358 MO Center= 9.5D-14, 1.2D-13, -1.8D-14, r^2= 4.7D+00 366 MO Center= -6.6D-13, 1.2D-12, -5.6D-13, r^2= 8.9D+00 374 MO Center= 5.7D-13, -1.0D-12, 4.6D-16, r^2= 1.4D+01 381 MO Center= -1.9D-13, -3.1D-14, 1.5D-14, r^2= 1.1D+01 389 MO Center= 5.2D-16, 4.4D-14, 5.6D-13, r^2= 1.1D+01 396 MO Center= -2.6D-15, 8.1D-15, -4.5D-16, r^2= 7.0D+00 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_mx_nwdft_4as/ |
H A D | nwxc_mx_nwdft_4as.out | 1549 MO Center= 3.0D-17, 1.2D-17, 2.7D-17, r^2= 1.1D-02 1556 MO Center= -5.0D-17, -4.6D-17, 7.7D-18, r^2= 1.2D-01 1562 MO Center= 5.5D-17, 2.1D-16, 1.2D-16, r^2= 1.3D-01 1570 MO Center= 2.1D-17, -3.3D-17, 8.1D-17, r^2= 1.3D-01 1578 MO Center= -1.6D-17, 2.1D-17, -6.8D-18, r^2= 1.3D-01 1586 MO Center= 9.8D-18, -7.9D-17, -2.9D-17, r^2= 1.7D-01 1593 MO Center= -2.7D-17, -1.7D-17, 8.6D-19, r^2= 1.7D-01 1600 MO Center= 4.0D-17, -8.3D-17, -5.2D-18, r^2= 1.7D-01 1607 MO Center= 1.4D-16, -1.8D-16, 9.4D-17, r^2= 1.7D-01 1614 MO Center= 7.9D-19, -6.5D-18, -3.3D-17, r^2= 1.7D-01 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_mx_nwdft_4as/ |
H A D | nwxc_mx_nwdft_4as.out | 1549 MO Center= 3.0D-17, 1.2D-17, 2.7D-17, r^2= 1.1D-02 1556 MO Center= -5.0D-17, -4.6D-17, 7.7D-18, r^2= 1.2D-01 1562 MO Center= 5.5D-17, 2.1D-16, 1.2D-16, r^2= 1.3D-01 1570 MO Center= 2.1D-17, -3.3D-17, 8.1D-17, r^2= 1.3D-01 1578 MO Center= -1.6D-17, 2.1D-17, -6.8D-18, r^2= 1.3D-01 1586 MO Center= 9.8D-18, -7.9D-17, -2.9D-17, r^2= 1.7D-01 1593 MO Center= -2.7D-17, -1.7D-17, 8.6D-19, r^2= 1.7D-01 1600 MO Center= 4.0D-17, -8.3D-17, -5.2D-18, r^2= 1.7D-01 1607 MO Center= 1.4D-16, -1.8D-16, 9.4D-17, r^2= 1.7D-01 1614 MO Center= 7.9D-19, -6.5D-18, -3.3D-17, r^2= 1.7D-01 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/metagga_li4h4_1_dldf_dldf/ |
H A D | metagga_li4h4_1_dldf_dldf.out | 492 MO Center= 1.1D+00, 8.4D-01, -1.0D+00, r^2= 9.1D-01 499 MO Center= -1.0D+00, 8.3D-01, 1.1D+00, r^2= 9.1D-01 506 MO Center= -3.9D-01, -1.0D+00, -3.8D-01, r^2= 1.4D+00 513 MO Center= 3.5D-01, -1.0D+00, 3.4D-01, r^2= 1.4D+00 520 MO Center= 3.1D-02, 1.2D+00, 3.8D-02, r^2= 1.0D+00 527 MO Center= -1.7D-02, -6.8D-01, -1.3D-02, r^2= 2.7D+00 535 MO Center= -1.1D-02, -7.6D-01, -2.2D-02, r^2= 2.9D+00 543 MO Center= 1.9D-02, 9.8D-01, 2.6D-02, r^2= 3.6D+00 553 MO Center= 1.9D-02, 8.5D-01, 9.0D-03, r^2= 1.3D+01 563 MO Center= 2.6D-02, 1.6D+00, 3.5D-02, r^2= 1.3D+01 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/metagga_li4h4_1_dldf_dldf/ |
H A D | metagga_li4h4_1_dldf_dldf.out | 492 MO Center= 1.1D+00, 8.4D-01, -1.0D+00, r^2= 9.1D-01 499 MO Center= -1.0D+00, 8.3D-01, 1.1D+00, r^2= 9.1D-01 506 MO Center= -3.9D-01, -1.0D+00, -3.8D-01, r^2= 1.4D+00 513 MO Center= 3.5D-01, -1.0D+00, 3.4D-01, r^2= 1.4D+00 520 MO Center= 3.1D-02, 1.2D+00, 3.8D-02, r^2= 1.0D+00 527 MO Center= -1.7D-02, -6.8D-01, -1.3D-02, r^2= 2.7D+00 535 MO Center= -1.1D-02, -7.6D-01, -2.2D-02, r^2= 2.9D+00 543 MO Center= 1.9D-02, 9.8D-01, 2.6D-02, r^2= 3.6D+00 553 MO Center= 1.9D-02, 8.5D-01, 9.0D-03, r^2= 1.3D+01 563 MO Center= 2.6D-02, 1.6D+00, 3.5D-02, r^2= 1.3D+01 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/metagga_li4h4_1_m11_0/ |
H A D | metagga_li4h4_1_m11_0.out | 493 MO Center= 1.1D+00, 8.4D-01, -1.1D+00, r^2= 5.0D-01 499 MO Center= -1.1D+00, 8.3D-01, 1.2D+00, r^2= 5.0D-01 505 MO Center= -7.5D-01, -9.9D-01, -7.4D-01, r^2= 6.5D-01 512 MO Center= 7.1D-01, -1.0D+00, 6.9D-01, r^2= 6.4D-01 519 MO Center= 3.2D-02, 1.3D+00, 3.9D-02, r^2= 9.3D-01 526 MO Center= -1.8D-02, -6.9D-01, -1.2D-02, r^2= 2.4D+00 535 MO Center= -1.0D-02, -7.5D-01, -2.3D-02, r^2= 2.6D+00 543 MO Center= 2.5D-02, 1.1D+00, 3.2D-02, r^2= 2.8D+00 552 MO Center= -6.7D-03, 6.3D-01, -7.6D-03, r^2= 1.4D+01 562 MO Center= 2.3D-02, 1.5D+00, 1.9D-02, r^2= 1.4D+01 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/metagga_li4h4_1_m11_0/ |
H A D | metagga_li4h4_1_m11_0.out | 493 MO Center= 1.1D+00, 8.4D-01, -1.1D+00, r^2= 5.0D-01 499 MO Center= -1.1D+00, 8.3D-01, 1.2D+00, r^2= 5.0D-01 505 MO Center= -7.5D-01, -9.9D-01, -7.4D-01, r^2= 6.5D-01 512 MO Center= 7.1D-01, -1.0D+00, 6.9D-01, r^2= 6.4D-01 519 MO Center= 3.2D-02, 1.3D+00, 3.9D-02, r^2= 9.3D-01 526 MO Center= -1.8D-02, -6.9D-01, -1.2D-02, r^2= 2.4D+00 535 MO Center= -1.0D-02, -7.5D-01, -2.3D-02, r^2= 2.6D+00 543 MO Center= 2.5D-02, 1.1D+00, 3.2D-02, r^2= 2.8D+00 552 MO Center= -6.7D-03, 6.3D-01, -7.6D-03, r^2= 1.4D+01 562 MO Center= 2.3D-02, 1.5D+00, 1.9D-02, r^2= 1.4D+01 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/dft_hyperf_zno6bq/ |
H A D | dft_hyperf_zno6bq.out | 670 MO Center= -7.4D-22, 4.5D-22, -4.8D-13, r^2= 9.8D-04 676 MO Center= 4.0D-16, -2.5D-17, -1.5D-09, r^2= 1.7D-02 682 MO Center= -1.8D-18, -1.4D-18, 1.4D-09, r^2= 1.4D-02 688 MO Center= -4.2D-18, 3.3D-17, -4.3D-11, r^2= 1.4D-02 694 MO Center= -4.0D-16, -1.7D-19, -4.3D-11, r^2= 1.4D-02 700 MO Center= -1.8D-17, -9.4D-18, 5.1D-02, r^2= 4.4D+00 707 MO Center= 2.1D-19, 4.9D-20, -5.1D-02, r^2= 4.4D+00 714 MO Center= 7.9D-17, -1.4D-16, -1.6D-11, r^2= 4.0D+00 721 MO Center= 1.2D-10, -1.6D-10, -1.3D-11, r^2= 4.0D+00 728 MO Center= 6.4D-11, 4.9D-11, -1.3D-11, r^2= 4.0D+00 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/dft_hyperf_zno6bq/ |
H A D | dft_hyperf_zno6bq.out | 670 MO Center= -7.4D-22, 4.5D-22, -4.8D-13, r^2= 9.8D-04 676 MO Center= 4.0D-16, -2.5D-17, -1.5D-09, r^2= 1.7D-02 682 MO Center= -1.8D-18, -1.4D-18, 1.4D-09, r^2= 1.4D-02 688 MO Center= -4.2D-18, 3.3D-17, -4.3D-11, r^2= 1.4D-02 694 MO Center= -4.0D-16, -1.7D-19, -4.3D-11, r^2= 1.4D-02 700 MO Center= -1.8D-17, -9.4D-18, 5.1D-02, r^2= 4.4D+00 707 MO Center= 2.1D-19, 4.9D-20, -5.1D-02, r^2= 4.4D+00 714 MO Center= 7.9D-17, -1.4D-16, -1.6D-11, r^2= 4.0D+00 721 MO Center= 1.2D-10, -1.6D-10, -1.3D-11, r^2= 4.0D+00 728 MO Center= 6.4D-11, 4.9D-11, -1.3D-11, r^2= 4.0D+00 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_mx_nwdft_4p/ |
H A D | nwxc_mx_nwdft_4p.out | 1522 MO Center= 9.9D-19, 2.0D-18, 1.5D-19, r^2= 4.1D-03 1528 MO Center= -8.2D-17, -3.2D-17, -9.2D-17, r^2= 9.2D-02 1534 MO Center= 6.6D-18, -3.0D-17, -4.4D-17, r^2= 8.4D-02 1540 MO Center= 9.3D-17, -3.2D-17, 1.1D-17, r^2= 8.4D-02 1547 MO Center= -4.6D-17, -1.2D-17, 2.9D-17, r^2= 8.4D-02 1554 MO Center= -4.0D-16, -4.3D-16, -7.4D-16, r^2= 1.2D+00 1561 MO Center= 4.0D-16, 4.0D-17, -2.3D-16, r^2= 1.9D+00 1568 MO Center= 1.2D-16, -1.8D-16, 5.4D-16, r^2= 1.9D+00 1575 MO Center= 5.5D-17, 3.8D-16, 1.4D-16, r^2= 1.9D+00 1582 MO Center= -2.6D-17, 4.4D-17, -4.8D-17, r^2= 4.5D+00 [all …]
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