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/dports/graphics/blender/blender-2.91.0/intern/cycles/kernel/shaders/
H A Dnode_vector_rotate.osl23 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 :
/dports/cad/opencascade/opencascade-7.6.0/src/Geom2dGcc/
H A DGeom2dGcc_Circ2d2TanOnGeo.cxx151 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()
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/dports/math/vtk6/VTK-6.2.0/Filters/Sources/
H A DvtkCubeSource.cxx37 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()
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/dports/cad/kicad-devel/kicad-a17a58203b33e08b966075833b177dad5740c236/libs/kimath/include/geometry/
H A Dshape_circle.h73 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;
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_ad_nwdft_4sb/
H A Dnwxc_ad_nwdft_4sb.out1574 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_ad_nwdft_4sb/
H A Dnwxc_ad_nwdft_4sb.out1574 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
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/dports/graphics/clutter/clutter-1.26.4/tests/interactive/
H A Dtest-bind-constraint.c12 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()
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/dports/x11-wm/mutter/mutter-41.1/src/tests/clutter/interactive/
H A Dtest-bind-constraint.c14 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()
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/dports/x11-wm/muffin/muffin-4.8.0/clutter/tests/interactive/
H A Dtest-bind-constraint.c12 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()
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/dports/cad/opencascade/opencascade-7.6.0/src/GccAna/
H A DGccAna_Circ2d2TanRad_2.cxx142 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
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H A DGccAna_Circ2dTanOnRad.cxx89 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()
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/metagga_li4h4_1_pkzb_pkzb/
H A Dmetagga_li4h4_1_pkzb_pkzb.out496 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
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/metagga_li4h4_1_vs98_vs98/
H A Dmetagga_li4h4_1_vs98_vs98.out499 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
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/metagga_li4h4_1_pkzb_pkzb/
H A Dmetagga_li4h4_1_pkzb_pkzb.out496 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/metagga_li4h4_1_vs98_vs98/
H A Dmetagga_li4h4_1_vs98_vs98.out499 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 …]
/dports/devel/py-cclib/cclib-1.7.1/data/NWChem/basicNWChem6.1/
H A DC_bigbasis_spherical.out330 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_mx_nwdft_4as/
H A Dnwxc_mx_nwdft_4as.out1549 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_mx_nwdft_4as/
H A Dnwxc_mx_nwdft_4as.out1549 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/metagga_li4h4_1_dldf_dldf/
H A Dmetagga_li4h4_1_dldf_dldf.out492 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/metagga_li4h4_1_dldf_dldf/
H A Dmetagga_li4h4_1_dldf_dldf.out492 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/metagga_li4h4_1_m11_0/
H A Dmetagga_li4h4_1_m11_0.out493 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/metagga_li4h4_1_m11_0/
H A Dmetagga_li4h4_1_m11_0.out493 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/dft_hyperf_zno6bq/
H A Ddft_hyperf_zno6bq.out670 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/dft_hyperf_zno6bq/
H A Ddft_hyperf_zno6bq.out670 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_mx_nwdft_4p/
H A Dnwxc_mx_nwdft_4p.out1522 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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