/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/basis/libraries/ |
H A D | 6-31gs_polarization | 14 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 …]
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H A D | sbkjc_vdz_ecp | 10 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 …]
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H A D | huzinaga_polarization | 9 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 …]
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H A D | sto-3g | 14 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 …]
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H A D | pople_2d_2p_polarization | 9 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 …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/basis/libraries.bse/ |
H A D | lanl2dz | 82 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 …]
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H A D | crenbs | 74 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 …]
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H A D | ahlrichs_pvdz | 45 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/basis/libraries.bse/ |
H A D | lanl2dz | 33 # 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 …]
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H A D | dgauss-dzvp | 33 # 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 …]
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H A D | midi | 63 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 …]
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H A D | ano-rcc-mb | 33 # 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 …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/basis/libraries/ |
H A D | sbkjc_vdz_ecp | 10 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 …]
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H A D | huzinaga_polarization | 9 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 …]
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H A D | sto-3g | 14 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 …]
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H A D | pople_2d_2p_polarization | 9 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 …]
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H A D | ano-rcc | 14 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 …]
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/dports/math/lidia/lidia-2.3.0+latte-patches-2014-10-04/src/number_fields/quadratic_order/ |
H A D | quadratic_number_power_product_basis.cc | 91 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 …]
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/dports/cad/zcad/zcad-8b8a693/cad_source/zengine/core/entities/ |
H A D | uzeentwithlocalcs.pas | 93 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 …]
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/basis/ |
H A D | cc-pVTZ-F12 | 10 $ 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 …]
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H A D | aug-cc-pVDZ-RI | 17 $ 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 …]
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/dports/math/symphony/SYMPHONY-releases-5.6.17/SYMPHONY/src/Common/ |
H A D | pack_array.c | 85 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 …]
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/dports/math/gismo/gismo-21.12.0/src/gsNurbs/ |
H A D | gsBSpline.h | 67 : 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 …]
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/dports/devel/godot2-tools/godot-2.1.6-stable/core/math/ |
H A D | transform.cpp | 37 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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/dports/devel/godot2/godot-2.1.6-stable/core/math/ |
H A D | transform.cpp | 37 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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