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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/basis/libraries/
H A D6-31gs_polarization14 basis "Li_6-31G* Polarization" CARTESIAN
18 basis "Be_6-31G* Polarization" CARTESIAN
22 basis "B_6-31G* Polarization" CARTESIAN
26 basis "C_6-31G* Polarization" CARTESIAN
30 basis "N_6-31G* Polarization" CARTESIAN
34 basis "O_6-31G* Polarization" CARTESIAN
38 basis "F_6-31G* Polarization" CARTESIAN
42 basis "Ne_6-31G* Polarization" CARTESIAN
46 basis "Na_6-31G* Polarization" CARTESIAN
62 basis "P_6-31G* Polarization" CARTESIAN
[all …]
H A Dsbkjc_vdz_ecp10 basis "H_SBKJC VDZ ECP" CARTESIAN
17 basis "He_SBKJC VDZ ECP" CARTESIAN
24 basis "Li_SBKJC VDZ ECP" CARTESIAN
32 basis "Be_SBKJC VDZ ECP" CARTESIAN
40 basis "B_SBKJC VDZ ECP" CARTESIAN
48 basis "C_SBKJC VDZ ECP" CARTESIAN
56 basis "N_SBKJC VDZ ECP" CARTESIAN
64 basis "O_SBKJC VDZ ECP" CARTESIAN
72 basis "F_SBKJC VDZ ECP" CARTESIAN
80 basis "Ne_SBKJC VDZ ECP" CARTESIAN
[all …]
H A Dhuzinaga_polarization9 basis "K_Huzinaga Polarization" CARTESIAN
13 basis "Ca_Huzinaga Polarization" CARTESIAN
17 basis "Ga_Huzinaga Polarization" CARTESIAN
21 basis "Ge_Huzinaga Polarization" CARTESIAN
25 basis "As_Huzinaga Polarization" CARTESIAN
29 basis "Se_Huzinaga Polarization" CARTESIAN
33 basis "Br_Huzinaga Polarization" CARTESIAN
37 basis "Kr_Huzinaga Polarization" CARTESIAN
41 basis "Rb_Huzinaga Polarization" CARTESIAN
45 basis "Sr_Huzinaga Polarization" CARTESIAN
[all …]
H A Dsto-3g14 basis "H_STO-3G" SPHERICAL
20 basis "He_STO-3G" SPHERICAL
26 basis "Li_STO-3G" SPHERICAL
36 basis "Be_STO-3G" SPHERICAL
46 basis "B_STO-3G" SPHERICAL
56 basis "C_STO-3G" SPHERICAL
66 basis "N_STO-3G" SPHERICAL
76 basis "O_STO-3G" SPHERICAL
86 basis "F_STO-3G" SPHERICAL
96 basis "Ne_STO-3G" SPHERICAL
[all …]
H A Dpople_2d_2p_polarization9 basis "H_Pople (2d,2p) Polarization" SPHERICAL
15 basis "He_Pople (2d,2p) Polarization" SPHERICAL
21 basis "Li_Pople (2d,2p) Polarization" SPHERICAL
27 basis "Be_Pople (2d,2p) Polarization" SPHERICAL
33 basis "B_Pople (2d,2p) Polarization" SPHERICAL
39 basis "C_Pople (2d,2p) Polarization" SPHERICAL
45 basis "N_Pople (2d,2p) Polarization" SPHERICAL
51 basis "O_Pople (2d,2p) Polarization" SPHERICAL
57 basis "F_Pople (2d,2p) Polarization" SPHERICAL
63 basis "Ne_Pople (2d,2p) Polarization" SPHERICAL
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/basis/libraries.bse/
H A Dlanl2dz82 basis "H_lanl2dz"
91 basis "Li_lanl2dz"
113 basis "Be_lanl2dz"
136 basis "B_lanl2dz"
159 basis "C_lanl2dz"
182 basis "N_lanl2dz"
205 basis "O_lanl2dz"
228 basis "F_lanl2dz"
251 basis "Ne_lanl2dz"
422 basis "P_lanl2dz"
[all …]
H A Dcrenbs74 basis "Sc_crenbs"
113 basis "Ti_crenbs"
152 basis "V_crenbs"
191 basis "Cr_crenbs"
230 basis "Mn_crenbs"
269 basis "Fe_crenbs"
308 basis "Co_crenbs"
347 basis "Ni_crenbs"
386 basis "Cu_crenbs"
425 basis "Zn_crenbs"
[all …]
H A Dahlrichs_pvdz45 basis "H_ahlrichs pvdz"
56 basis "He_ahlrichs pvdz"
67 basis "Li_ahlrichs pvdz"
82 basis "Be_ahlrichs pvdz"
101 basis "B_ahlrichs pvdz"
122 basis "C_ahlrichs pvdz"
143 basis "N_ahlrichs pvdz"
164 basis "O_ahlrichs pvdz"
185 basis "F_ahlrichs pvdz"
335 basis "P_ahlrichs pvdz"
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/basis/libraries.bse/
H A Dlanl2dz33 # References for the basis set
121 basis "H_LANL2DZ" SPHERICAL
122 #basis SET: (4s) -> [2s]
130 basis "Li_LANL2DZ" SPHERICAL
152 basis "Be_LANL2DZ" SPHERICAL
175 basis "B_LANL2DZ" SPHERICAL
198 basis "C_LANL2DZ" SPHERICAL
221 basis "N_LANL2DZ" SPHERICAL
244 basis "O_LANL2DZ" SPHERICAL
267 basis "F_LANL2DZ" SPHERICAL
[all …]
H A Ddgauss-dzvp33 # References for the basis set
50 basis "H_dgauss-dzvp" SPHERICAL
51 #basis SET: (5s) -> [2s]
60 basis "He_dgauss-dzvp" SPHERICAL
61 #basis SET: (6s) -> [2s]
71 basis "Li_dgauss-dzvp" SPHERICAL
90 basis "Be_dgauss-dzvp" SPHERICAL
109 basis "B_dgauss-dzvp" SPHERICAL
133 basis "C_dgauss-dzvp" SPHERICAL
157 basis "N_dgauss-dzvp" SPHERICAL
[all …]
H A Dmidi63 basis "H_MIDI" SPHERICAL
64 #basis SET: (3s) -> [2s]
71 basis "He_MIDI" SPHERICAL
72 #basis SET: (3s) -> [2s]
79 basis "Li_MIDI" SPHERICAL
80 #basis SET: (6s) -> [3s]
92 #basis SET: (6s) -> [3s]
103 basis "B_MIDI" SPHERICAL
120 basis "C_MIDI" SPHERICAL
137 basis "N_MIDI" SPHERICAL
[all …]
H A Dano-rcc-mb33 # References for the basis set
107 basis "H_ANO-RCC-MB" SPHERICAL
108 #basis SET: (8s) -> [1s]
119 basis "He_ANO-RCC-MB" SPHERICAL
120 #basis SET: (9s) -> [1s]
132 basis "Li_ANO-RCC-MB" SPHERICAL
133 #basis SET: (28s,9p) -> [2s,1p]
176 #basis SET: (28s,9p) -> [2s,1p]
218 basis "B_ANO-RCC-MB" SPHERICAL
219 #basis SET: (28s,9p) -> [2s,1p]
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/basis/libraries/
H A Dsbkjc_vdz_ecp10 basis "H_SBKJC VDZ ECP" CARTESIAN
17 basis "He_SBKJC VDZ ECP" CARTESIAN
24 basis "Li_SBKJC VDZ ECP" CARTESIAN
32 basis "Be_SBKJC VDZ ECP" CARTESIAN
40 basis "B_SBKJC VDZ ECP" CARTESIAN
48 basis "C_SBKJC VDZ ECP" CARTESIAN
56 basis "N_SBKJC VDZ ECP" CARTESIAN
64 basis "O_SBKJC VDZ ECP" CARTESIAN
72 basis "F_SBKJC VDZ ECP" CARTESIAN
80 basis "Ne_SBKJC VDZ ECP" CARTESIAN
[all …]
H A Dhuzinaga_polarization9 basis "K_Huzinaga Polarization" CARTESIAN
13 basis "Ca_Huzinaga Polarization" CARTESIAN
17 basis "Ga_Huzinaga Polarization" CARTESIAN
21 basis "Ge_Huzinaga Polarization" CARTESIAN
25 basis "As_Huzinaga Polarization" CARTESIAN
29 basis "Se_Huzinaga Polarization" CARTESIAN
33 basis "Br_Huzinaga Polarization" CARTESIAN
37 basis "Kr_Huzinaga Polarization" CARTESIAN
41 basis "Rb_Huzinaga Polarization" CARTESIAN
45 basis "Sr_Huzinaga Polarization" CARTESIAN
[all …]
H A Dsto-3g14 basis "H_STO-3G" SPHERICAL
20 basis "He_STO-3G" SPHERICAL
26 basis "Li_STO-3G" SPHERICAL
36 basis "Be_STO-3G" SPHERICAL
46 basis "B_STO-3G" SPHERICAL
56 basis "C_STO-3G" SPHERICAL
66 basis "N_STO-3G" SPHERICAL
76 basis "O_STO-3G" SPHERICAL
86 basis "F_STO-3G" SPHERICAL
96 basis "Ne_STO-3G" SPHERICAL
[all …]
H A Dpople_2d_2p_polarization9 basis "H_Pople (2d,2p) Polarization" SPHERICAL
15 basis "He_Pople (2d,2p) Polarization" SPHERICAL
21 basis "Li_Pople (2d,2p) Polarization" SPHERICAL
27 basis "Be_Pople (2d,2p) Polarization" SPHERICAL
33 basis "B_Pople (2d,2p) Polarization" SPHERICAL
39 basis "C_Pople (2d,2p) Polarization" SPHERICAL
45 basis "N_Pople (2d,2p) Polarization" SPHERICAL
51 basis "O_Pople (2d,2p) Polarization" SPHERICAL
57 basis "F_Pople (2d,2p) Polarization" SPHERICAL
63 basis "Ne_Pople (2d,2p) Polarization" SPHERICAL
[all …]
H A Dano-rcc14 basis "H_ANO-RCC" SPHERICAL
36 basis "He_ANO-RCC" SPHERICAL
61 basis "Li_ANO-RCC" SPHERICAL
99 basis "Be_ANO-RCC" SPHERICAL
138 basis "B_ANO-RCC" SPHERICAL
179 basis "C_ANO-RCC" SPHERICAL
218 basis "N_ANO-RCC" SPHERICAL
257 basis "O_ANO-RCC" SPHERICAL
296 basis "F_ANO-RCC" SPHERICAL
563 basis "P_ANO-RCC" SPHERICAL
[all …]
/dports/math/lidia/lidia-2.3.0+latte-patches-2014-10-04/src/number_fields/quadratic_order/
H A Dquadratic_number_power_product_basis.cc91 basis.assign(b.basis); in assign()
106 basis.assign(b); in set_basis()
122 basis[0].assign(b); in set_basis()
148 basis.assign(b.basis); in concat()
154 basis[b.basis.get_size()] = q; in concat()
168 basis.concat(b.basis, c.basis); in concat()
185 return basis; in get_basis()
195 return basis[i]; in operator []()
208 return basis[i]; in operator []()
535 in >> b.basis; in operator >>()
[all …]
/dports/cad/zcad/zcad-8b8a693/cad_source/zengine/core/entities/
H A Duzeentwithlocalcs.pas93 Local.basis.ox:=normalizevertex(Local.basis.ox);
94 Local.basis.oy:=normalizevertex(Local.basis.oy);
95 Local.basis.oz:=normalizevertex(Local.basis.oz);
169 Local.basis.ox:=XWCS;
170 Local.basis.oy:=YWCS;
171 Local.basis.oz:=ZWCS;
206 Local.basis.ox:=GetXfFromZ(Local.basis.oz);
211 Local.basis.oy:=CrossVertex(Local.basis.oz,Local.basis.ox);
213 Local.basis.oy:=NormalizeVertex(Local.basis.oy);
214 Local.basis.oz:=NormalizeVertex(Local.basis.oz);
[all …]
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/basis/
H A Dcc-pVTZ-F1210 $ Primitive basis (6s,3p,1d)
11 $ Contracted basis [4s,3p,1d]
30 $ Primitive basis (8s,3p,1d)
31 $ Contracted basis [5s,3p,1d]
52 $ Primitive basis (13s,7p,3d,2f)
53 $ Contracted basis [6s,6p,3d,2f]
89 $ Primitive basis (13s,7p,3d,2f)
90 $ Contracted basis [6s,6p,3d,2f]
127 $ Contracted basis [6s,6p,3d,2f]
164 $ Contracted basis [6s,6p,3d,2f]
[all …]
H A Daug-cc-pVDZ-RI17 $ Primitive basis (4s,3p,2d)
18 $ Contracted basis [4s,3p,2d]
36 $ Primitive basis (4s,3p)
37 $ Contracted basis [4s,3p]
51 $ Primitive basis (8s,6p,5d,3f)
52 $ Contracted basis [8s,6p,5d,3f]
85 $ Primitive basis (8s,6p,5d,3f)
86 $ Contracted basis [8s,6p,5d,3f]
119 $ Primitive basis (8s,6p,5d,3f)
120 $ Contracted basis [8s,6p,5d,3f]
[all …]
/dports/math/symphony/SYMPHONY-releases-5.6.17/SYMPHONY/src/Common/
H A Dpack_array.c85 void pack_basis(basis_desc *basis, char explicit_packing) in pack_basis() argument
87 send_char_array(&basis->basis_exists, 1); in pack_basis()
88 if (basis->basis_exists){ in pack_basis()
100 basis_desc *basis = in unpack_basis() local
102 receive_char_array(&basis->basis_exists, 1); in unpack_basis()
103 if (basis->basis_exists){ in unpack_basis()
109 basis->baserows.list = basis->baserows.stat = NULL; in unpack_basis()
110 basis->extrarows.list = basis->extrarows.stat = NULL; in unpack_basis()
111 basis->basevars.list = basis->basevars.stat = NULL; in unpack_basis()
112 basis->extravars.list = basis->extravars.stat = NULL; in unpack_basis()
[all …]
/dports/math/gismo/gismo-21.12.0/src/gsNurbs/
H A DgsBSpline.h67 : Base( basis, give(coefs) ) in gsBSpline()
69 if( this->basis().isPeriodic() ) in gsBSpline()
83 this->basis().setPeriodic();
148 …os << "BSpline curve "<< "of degree "<< this->basis().degree()<< ", "<< this->basis().knots() <<"… in GISMO_CLONE_FUNCTION()
150 if( this->basis().isPeriodic() ) in GISMO_CLONE_FUNCTION()
166 return this->basis().knots();
174 return this->basis().knots();
182 return this->basis().degree();
205 if( this->basis().isPeriodic() )
247 if( this->basis().isPeriodic() ) in insertKnots()
[all …]
/dports/devel/godot2-tools/godot-2.1.6-stable/core/math/
H A Dtransform.cpp37 basis.invert(); in affine_invert()
50 basis.transpose(); in invert()
105 basis.set_axis(0, v_x); in set_look_at()
106 basis.set_axis(1, v_y); in set_look_at()
116 Quat src_rot = basis; in interpolate_with()
133 basis.scale(p_scale); in scale()
146 basis.scale(p_scale); in scale_basis()
180 return (basis == p_transform.basis && origin == p_transform.origin); in operator ==()
184 return (basis != p_transform.basis || origin != p_transform.origin); in operator !=()
190 basis *= p_transform.basis; in operator *=()
[all …]
/dports/devel/godot2/godot-2.1.6-stable/core/math/
H A Dtransform.cpp37 basis.invert(); in affine_invert()
50 basis.transpose(); in invert()
105 basis.set_axis(0, v_x); in set_look_at()
106 basis.set_axis(1, v_y); in set_look_at()
116 Quat src_rot = basis; in interpolate_with()
133 basis.scale(p_scale); in scale()
146 basis.scale(p_scale); in scale_basis()
180 return (basis == p_transform.basis && origin == p_transform.origin); in operator ==()
184 return (basis != p_transform.basis || origin != p_transform.origin); in operator !=()
190 basis *= p_transform.basis; in operator *=()
[all …]

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