/dports/science/nwchem-data/nwchem-7.0.2-release/contrib/basissets/Dyall/ |
H A D | dyall_relcpdzfi_sf_fw | 2 basis "Ga_dyall_relcpdz(fi/sf/fw)" SPHERICAL 6 basis "Ge_dyall_relcpdz(fi/sf/fw)" SPHERICAL 10 basis "As_dyall_relcpdz(fi/sf/fw)" SPHERICAL 14 basis "Se_dyall_relcpdz(fi/sf/fw)" SPHERICAL 18 basis "Br_dyall_relcpdz(fi/sf/fw)" SPHERICAL 22 basis "Kr_dyall_relcpdz(fi/sf/fw)" SPHERICAL 26 basis "In_dyall_relcpdz(fi/sf/fw)" SPHERICAL 30 basis "Sn_dyall_relcpdz(fi/sf/fw)" SPHERICAL 34 basis "Sb_dyall_relcpdz(fi/sf/fw)" SPHERICAL 38 basis "Te_dyall_relcpdz(fi/sf/fw)" SPHERICAL [all …]
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H A D | dyall_relcpdzfi_sf_lc | 2 basis "Ga_dyall_relcpdz(fi/sf/lc)" SPHERICAL 6 basis "Ge_dyall_relcpdz(fi/sf/lc)" SPHERICAL 10 basis "As_dyall_relcpdz(fi/sf/lc)" SPHERICAL 14 basis "Se_dyall_relcpdz(fi/sf/lc)" SPHERICAL 18 basis "Br_dyall_relcpdz(fi/sf/lc)" SPHERICAL 22 basis "Kr_dyall_relcpdz(fi/sf/lc)" SPHERICAL 26 basis "In_dyall_relcpdz(fi/sf/lc)" SPHERICAL 30 basis "Sn_dyall_relcpdz(fi/sf/lc)" SPHERICAL 34 basis "Sb_dyall_relcpdz(fi/sf/lc)" SPHERICAL 38 basis "Te_dyall_relcpdz(fi/sf/lc)" SPHERICAL [all …]
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H A D | dyall_relcpdzfi_sf_sc | 2 basis "Ga_dyall_relcpdz(fi/sf/sc)" SPHERICAL 6 basis "Ge_dyall_relcpdz(fi/sf/sc)" SPHERICAL 10 basis "As_dyall_relcpdz(fi/sf/sc)" SPHERICAL 14 basis "Se_dyall_relcpdz(fi/sf/sc)" SPHERICAL 18 basis "Br_dyall_relcpdz(fi/sf/sc)" SPHERICAL 22 basis "Kr_dyall_relcpdz(fi/sf/sc)" SPHERICAL 26 basis "In_dyall_relcpdz(fi/sf/sc)" SPHERICAL 30 basis "Sn_dyall_relcpdz(fi/sf/sc)" SPHERICAL 34 basis "Sb_dyall_relcpdz(fi/sf/sc)" SPHERICAL 38 basis "Te_dyall_relcpdz(fi/sf/sc)" SPHERICAL [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/contrib/basissets/Dyall/ |
H A D | dyall_relcpdzfi_sf_fw | 2 basis "Ga_dyall_relcpdz(fi/sf/fw)" SPHERICAL 6 basis "Ge_dyall_relcpdz(fi/sf/fw)" SPHERICAL 10 basis "As_dyall_relcpdz(fi/sf/fw)" SPHERICAL 14 basis "Se_dyall_relcpdz(fi/sf/fw)" SPHERICAL 18 basis "Br_dyall_relcpdz(fi/sf/fw)" SPHERICAL 22 basis "Kr_dyall_relcpdz(fi/sf/fw)" SPHERICAL 26 basis "In_dyall_relcpdz(fi/sf/fw)" SPHERICAL 30 basis "Sn_dyall_relcpdz(fi/sf/fw)" SPHERICAL 34 basis "Sb_dyall_relcpdz(fi/sf/fw)" SPHERICAL 38 basis "Te_dyall_relcpdz(fi/sf/fw)" SPHERICAL [all …]
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H A D | dyall_relcpdzfi_sf_lc | 2 basis "Ga_dyall_relcpdz(fi/sf/lc)" SPHERICAL 6 basis "Ge_dyall_relcpdz(fi/sf/lc)" SPHERICAL 10 basis "As_dyall_relcpdz(fi/sf/lc)" SPHERICAL 14 basis "Se_dyall_relcpdz(fi/sf/lc)" SPHERICAL 18 basis "Br_dyall_relcpdz(fi/sf/lc)" SPHERICAL 22 basis "Kr_dyall_relcpdz(fi/sf/lc)" SPHERICAL 26 basis "In_dyall_relcpdz(fi/sf/lc)" SPHERICAL 30 basis "Sn_dyall_relcpdz(fi/sf/lc)" SPHERICAL 34 basis "Sb_dyall_relcpdz(fi/sf/lc)" SPHERICAL 38 basis "Te_dyall_relcpdz(fi/sf/lc)" SPHERICAL [all …]
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H A D | dyall_relcpdzfi_sf_sc | 2 basis "Ga_dyall_relcpdz(fi/sf/sc)" SPHERICAL 6 basis "Ge_dyall_relcpdz(fi/sf/sc)" SPHERICAL 10 basis "As_dyall_relcpdz(fi/sf/sc)" SPHERICAL 14 basis "Se_dyall_relcpdz(fi/sf/sc)" SPHERICAL 18 basis "Br_dyall_relcpdz(fi/sf/sc)" SPHERICAL 22 basis "Kr_dyall_relcpdz(fi/sf/sc)" SPHERICAL 26 basis "In_dyall_relcpdz(fi/sf/sc)" SPHERICAL 30 basis "Sn_dyall_relcpdz(fi/sf/sc)" SPHERICAL 34 basis "Sb_dyall_relcpdz(fi/sf/sc)" SPHERICAL 38 basis "Te_dyall_relcpdz(fi/sf/sc)" SPHERICAL [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/basis/libraries/ |
H A D | roos_augmented_double_zeta_ano | 13 basis "H_Roos Augmented Double Zeta ANO" SPHERICAL 29 basis "He_Roos Augmented Double Zeta ANO" SPHERICAL 46 basis "Li_Roos Augmented Double Zeta ANO" SPHERICAL 78 basis "Be_Roos Augmented Double Zeta ANO" SPHERICAL 110 basis "B_Roos Augmented Double Zeta ANO" SPHERICAL 142 basis "C_Roos Augmented Double Zeta ANO" SPHERICAL 174 basis "N_Roos Augmented Double Zeta ANO" SPHERICAL 206 basis "O_Roos Augmented Double Zeta ANO" SPHERICAL 238 basis "F_Roos Augmented Double Zeta ANO" SPHERICAL 270 basis "Ne_Roos Augmented Double Zeta ANO" SPHERICAL [all …]
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H A D | aug-cc-pvtz-dk_diffuse | 15 basis "H_aug-cc-pVTZ-DK Diffuse" SPHERICAL 23 basis "He_aug-cc-pVTZ-DK Diffuse" SPHERICAL 31 basis "Li_aug-cc-pVTZ-DK Diffuse" SPHERICAL 41 basis "Be_aug-cc-pVTZ-DK Diffuse" SPHERICAL 51 basis "B_aug-cc-pVTZ-DK Diffuse" SPHERICAL 61 basis "C_aug-cc-pVTZ-DK Diffuse" SPHERICAL 71 basis "N_aug-cc-pVTZ-DK Diffuse" SPHERICAL 81 basis "O_aug-cc-pVTZ-DK Diffuse" SPHERICAL 91 basis "F_aug-cc-pVTZ-DK Diffuse" SPHERICAL 151 basis "P_aug-cc-pVTZ-DK Diffuse" SPHERICAL [all …]
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H A D | lanl2dzdp_ecp_polarization | 9 basis "H_LANL2DZdp ECP Polarization" SPHERICAL 15 basis "C_LANL2DZdp ECP Polarization" SPHERICAL 21 basis "N_LANL2DZdp ECP Polarization" SPHERICAL 27 basis "O_LANL2DZdp ECP Polarization" SPHERICAL 33 basis "F_LANL2DZdp ECP Polarization" SPHERICAL 39 basis "Si_LANL2DZdp ECP Polarization" SPHERICAL 45 basis "P_LANL2DZdp ECP Polarization" SPHERICAL 51 basis "S_LANL2DZdp ECP Polarization" SPHERICAL 57 basis "Cl_LANL2DZdp ECP Polarization" SPHERICAL 63 basis "Ge_LANL2DZdp ECP Polarization" SPHERICAL [all …]
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/basis/ |
H A D | aug-cc-pVTZ_OPTRI | 9 $ Primitive basis (3s,3p,2d,1f) 10 $ Contracted basis [3s,3p,2d,1f] 30 $ Primitive basis (3s,3p,2d,1f) 31 $ Contracted basis [3s,3p,2d,1f] 51 $ Primitive basis (4s,5p,4d,3f,2g) 52 $ Contracted basis [4s,5p,4d,3f,2g] 83 $ Primitive basis (4s,5p,4d,3f,2g) 84 $ Contracted basis [4s,5p,4d,3f,2g] 115 $ Primitive basis (4s,5p,4d,3f,2g) 116 $ Contracted basis [4s,5p,4d,3f,2g] [all …]
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H A D | aug-cc-pVQZ-RI | 17 $ Primitive basis (6s,5p,4d,3f,2g) 18 $ Contracted basis [6s,5p,4d,3f,2g] 51 $ Primitive basis (6s,5p,4d,3f) 52 $ Contracted basis [6s,5p,4d,3f] 81 $ Primitive basis (9s,8p,7d,6f,4g,2h) 82 $ Contracted basis [9s,8p,7d,6f,4g,2h] 133 $ Primitive basis (9s,8p,7d,6f,4g,2h) 134 $ Contracted basis [9s,8p,7d,6f,4g,2h] 185 $ Primitive basis (9s,8p,7d,6f,4g,2h) 186 $ Contracted basis [9s,8p,7d,6f,4g,2h] [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/basis/libraries/ |
H A D | roos_augmented_double_zeta_ano | 13 basis "H_Roos Augmented Double Zeta ANO" SPHERICAL 29 basis "He_Roos Augmented Double Zeta ANO" SPHERICAL 46 basis "Li_Roos Augmented Double Zeta ANO" SPHERICAL 78 basis "Be_Roos Augmented Double Zeta ANO" SPHERICAL 110 basis "B_Roos Augmented Double Zeta ANO" SPHERICAL 142 basis "C_Roos Augmented Double Zeta ANO" SPHERICAL 174 basis "N_Roos Augmented Double Zeta ANO" SPHERICAL 206 basis "O_Roos Augmented Double Zeta ANO" SPHERICAL 238 basis "F_Roos Augmented Double Zeta ANO" SPHERICAL 270 basis "Ne_Roos Augmented Double Zeta ANO" SPHERICAL [all …]
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H A D | aug-cc-pvtz-dk_diffuse | 15 basis "H_aug-cc-pVTZ-DK Diffuse" SPHERICAL 23 basis "He_aug-cc-pVTZ-DK Diffuse" SPHERICAL 31 basis "Li_aug-cc-pVTZ-DK Diffuse" SPHERICAL 41 basis "Be_aug-cc-pVTZ-DK Diffuse" SPHERICAL 51 basis "B_aug-cc-pVTZ-DK Diffuse" SPHERICAL 61 basis "C_aug-cc-pVTZ-DK Diffuse" SPHERICAL 71 basis "N_aug-cc-pVTZ-DK Diffuse" SPHERICAL 81 basis "O_aug-cc-pVTZ-DK Diffuse" SPHERICAL 91 basis "F_aug-cc-pVTZ-DK Diffuse" SPHERICAL 151 basis "P_aug-cc-pVTZ-DK Diffuse" SPHERICAL [all …]
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H A D | lanl2dzdp_ecp_polarization | 9 basis "H_LANL2DZdp ECP Polarization" SPHERICAL 15 basis "C_LANL2DZdp ECP Polarization" SPHERICAL 21 basis "N_LANL2DZdp ECP Polarization" SPHERICAL 27 basis "O_LANL2DZdp ECP Polarization" SPHERICAL 33 basis "F_LANL2DZdp ECP Polarization" SPHERICAL 39 basis "Si_LANL2DZdp ECP Polarization" SPHERICAL 45 basis "P_LANL2DZdp ECP Polarization" SPHERICAL 51 basis "S_LANL2DZdp ECP Polarization" SPHERICAL 57 basis "Cl_LANL2DZdp ECP Polarization" SPHERICAL 63 basis "Ge_LANL2DZdp ECP Polarization" SPHERICAL [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/basis/libraries.bse/ |
H A D | ano-rcc-vdzp | 7 # If you downloaded data from the basis set 33 # References for the basis set 107 basis "H_ANO-RCC-VDZP" SPHERICAL 108 #basis SET: (16s,4p) -> [2s,1p] 133 basis "He_ANO-RCC-VDZP" SPHERICAL 134 #basis SET: (18s,4p) -> [2s,1p] 161 basis "Li_ANO-RCC-VDZP" SPHERICAL 234 basis "Be_ANO-RCC-VDZP" SPHERICAL 307 basis "B_ANO-RCC-VDZP" SPHERICAL 381 basis "C_ANO-RCC-VDZP" SPHERICAL [all …]
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H A D | sbkjc_polarized_p_2d_-_lfk | 7 # If you downloaded data from the basis set 33 # References for the basis set 59 # basis set 80 #basis SET: (4s,4p) -> [3s,2p] 96 #basis SET: (4s,4p) -> [3s,2p] 112 #basis SET: (4s,5p,4d) -> [2s,3p,2d] 139 #basis SET: (4s,5p,4d) -> [2s,3p,2d] 166 #basis SET: (4s,5p,4d) -> [2s,3p,2d] 193 #basis SET: (4s,5p,4d) -> [2s,3p,2d] 220 #basis SET: (4s,5p,4d) -> [2s,3p,2d] [all …]
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H A D | ano-rcc-vtz | 7 # If you downloaded data from the basis set 33 # References for the basis set 36 # Full ANO-RCC basis 40 # Full ANO-RCC basis 62 basis "Li_ANO-RCC-VTZ" SPHERICAL 165 basis "Be_ANO-RCC-VTZ" SPHERICAL 268 basis "B_ANO-RCC-VTZ" SPHERICAL 373 basis "C_ANO-RCC-VTZ" SPHERICAL 476 basis "N_ANO-RCC-VTZ" SPHERICAL 579 basis "O_ANO-RCC-VTZ" SPHERICAL [all …]
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/dports/science/dftbplus/dftbplus-19.1/external/poisson/ |
H A D | gewald.F90 | 48 R(1)=i*basis(1,1)+j*basis(2,1)+k*basis(3,1) 49 R(2)=i*basis(1,2)+j*basis(2,2)+k*basis(3,2) 50 R(3)=i*basis(1,3)+j*basis(2,3)+k*basis(3,3) 151 rh(1)=r(1)-(i*basis(1,1)+j*basis(2,1)+k*basis(3,1)) 152 rh(2)=r(2)-(i*basis(1,2)+j*basis(2,2)+k*basis(3,2)) 153 rh(3)=r(3)-(i*basis(1,3)+j*basis(2,3)+k*basis(3,3)) 281 rh(1)=r(1)-(i*basis(1,1)+j*basis(2,1)+k*basis(3,1)) 282 rh(2)=r(2)-(i*basis(1,2)+j*basis(2,2)+k*basis(3,2)) 567 help1 = basis(1,1)**2 + basis(1,2)**2 + basis(1,3)**2 568 help2 = basis(2,1)**2 + basis(2,2)**2 + basis(2,3)**2 [all …]
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/dports/finance/prestashop/prestashop/vendor/phpoffice/phpspreadsheet/src/PhpSpreadsheet/Calculation/ |
H A D | Financial.php | 157 $basis = ($basis === null) ? 0 : Functions::flattenSingleValue($basis); 208 $basis = ($basis === null) ? 0 : Functions::flattenSingleValue($basis); 269 $basis = ($basis === null) ? 0 : (int) Functions::flattenSingleValue($basis); 347 $basis = ($basis === null) ? 0 : (int) Functions::flattenSingleValue($basis); 422 (($basis < 0) || ($basis > 4))) { 481 (($basis < 0) || ($basis > 4))) { 555 (($basis < 0) || ($basis > 4))) { 615 (($basis < 0) || ($basis > 4))) { 672 (($basis < 0) || ($basis > 4))) { 1017 $basis = (int) $basis; [all …]
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/dports/www/moodle310/moodle/lib/phpspreadsheet/vendor/phpoffice/phpspreadsheet/src/PhpSpreadsheet/Calculation/ |
H A D | Financial.php | 157 $basis = ($basis === null) ? 0 : Functions::flattenSingleValue($basis); 208 $basis = ($basis === null) ? 0 : Functions::flattenSingleValue($basis); 269 $basis = ($basis === null) ? 0 : (int) Functions::flattenSingleValue($basis); 347 $basis = ($basis === null) ? 0 : (int) Functions::flattenSingleValue($basis); 422 (($basis < 0) || ($basis > 4))) { 481 (($basis < 0) || ($basis > 4))) { 555 (($basis < 0) || ($basis > 4))) { 615 (($basis < 0) || ($basis > 4))) { 672 (($basis < 0) || ($basis > 4))) { 1017 $basis = (int) $basis; [all …]
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/dports/www/moodle39/moodle/lib/phpspreadsheet/vendor/phpoffice/phpspreadsheet/src/PhpSpreadsheet/Calculation/ |
H A D | Financial.php | 157 $basis = ($basis === null) ? 0 : Functions::flattenSingleValue($basis); 208 $basis = ($basis === null) ? 0 : Functions::flattenSingleValue($basis); 269 $basis = ($basis === null) ? 0 : (int) Functions::flattenSingleValue($basis); 347 $basis = ($basis === null) ? 0 : (int) Functions::flattenSingleValue($basis); 422 (($basis < 0) || ($basis > 4))) { 481 (($basis < 0) || ($basis > 4))) { 555 (($basis < 0) || ($basis > 4))) { 615 (($basis < 0) || ($basis > 4))) { 672 (($basis < 0) || ($basis > 4))) { 1017 $basis = (int) $basis; [all …]
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/dports/www/dolibarr13/dolibarr-13.0.5/htdocs/includes/phpoffice/PhpSpreadsheet/Calculation/ |
H A D | Financial.php | 157 $basis = ($basis === null) ? 0 : Functions::flattenSingleValue($basis); 208 $basis = ($basis === null) ? 0 : Functions::flattenSingleValue($basis); 269 $basis = ($basis === null) ? 0 : (int) Functions::flattenSingleValue($basis); 347 $basis = ($basis === null) ? 0 : (int) Functions::flattenSingleValue($basis); 422 (($basis < 0) || ($basis > 4))) { 481 (($basis < 0) || ($basis > 4))) { 555 (($basis < 0) || ($basis > 4))) { 615 (($basis < 0) || ($basis > 4))) { 672 (($basis < 0) || ($basis > 4))) { 1021 $basis = (int) $basis; [all …]
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/dports/www/dolibarr/dolibarr-14.0.3/htdocs/includes/phpoffice/phpspreadsheet/src/PhpSpreadsheet/Calculation/ |
H A D | Financial.php | 157 $basis = ($basis === null) ? 0 : Functions::flattenSingleValue($basis); 208 $basis = ($basis === null) ? 0 : Functions::flattenSingleValue($basis); 269 $basis = ($basis === null) ? 0 : (int) Functions::flattenSingleValue($basis); 347 $basis = ($basis === null) ? 0 : (int) Functions::flattenSingleValue($basis); 422 (($basis < 0) || ($basis > 4))) { 481 (($basis < 0) || ($basis > 4))) { 555 (($basis < 0) || ($basis > 4))) { 615 (($basis < 0) || ($basis > 4))) { 672 (($basis < 0) || ($basis > 4))) { 1021 $basis = (int) $basis; [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/basis/libraries.bse/ |
H A D | 6-311++g | 126 basis "H_6-311++g" 139 basis "Li_6-311++g" 159 basis "Be_6-311++g" 179 basis "B_6-311++g" 199 basis "C_6-311++g" 219 basis "N_6-311++g" 239 basis "O_6-311++g" 259 basis "F_6-311++g" 451 basis "P_6-311++g" 489 basis "S_6-311++g" [all …]
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/dports/math/GiNaC/ginac-1.8.2/ginac/ |
H A D | power.cpp | 113 basis.print(c); in do_print_dflt() 133 basis.print(c); in do_print_latex() 168 basis.print(c); in do_print_csrc_cl_N() 173 basis.print(c); in do_print_csrc_cl_N() 183 (is_a<symbol>(basis) || is_a<constant>(basis))) { in do_print_csrc() 197 basis.print(c); in do_print_csrc() 218 basis.print(c); in do_print_python_repr() 399 return basis; in eval() 472 return pow(basis, r.div(m)) * pow(basis, q); in eval() 752 return *this * (exponent.diff(s)*log(basis) + exponent*basis.diff(s)*pow(basis, _ex_1)); in derivative() [all …]
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