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/dports/science/nwchem-data/nwchem-7.0.2-release/contrib/basissets/Dyall/
H A Ddyall_relcpdzfi_sf_fw2 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 …]
H A Ddyall_relcpdzfi_sf_lc2 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 …]
H A Ddyall_relcpdzfi_sf_sc2 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/contrib/basissets/Dyall/
H A Ddyall_relcpdzfi_sf_fw2 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 …]
H A Ddyall_relcpdzfi_sf_lc2 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 …]
H A Ddyall_relcpdzfi_sf_sc2 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/basis/libraries/
H A Droos_augmented_double_zeta_ano13 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 …]
H A Daug-cc-pvtz-dk_diffuse15 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 …]
H A Dlanl2dzdp_ecp_polarization9 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 …]
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/basis/
H A Daug-cc-pVTZ_OPTRI9 $ 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 …]
H A Daug-cc-pVQZ-RI17 $ 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/basis/libraries/
H A Droos_augmented_double_zeta_ano13 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 …]
H A Daug-cc-pvtz-dk_diffuse15 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 …]
H A Dlanl2dzdp_ecp_polarization9 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/basis/libraries.bse/
H A Dano-rcc-vdzp7 # 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 …]
H A Dsbkjc_polarized_p_2d_-_lfk7 # 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 …]
H A Dano-rcc-vtz7 # 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 …]
/dports/science/dftbplus/dftbplus-19.1/external/poisson/
H A Dgewald.F9048 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 …]
/dports/finance/prestashop/prestashop/vendor/phpoffice/phpspreadsheet/src/PhpSpreadsheet/Calculation/
H A DFinancial.php157 $basis = ($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 …]
/dports/www/moodle310/moodle/lib/phpspreadsheet/vendor/phpoffice/phpspreadsheet/src/PhpSpreadsheet/Calculation/
H A DFinancial.php157 $basis = ($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 …]
/dports/www/moodle39/moodle/lib/phpspreadsheet/vendor/phpoffice/phpspreadsheet/src/PhpSpreadsheet/Calculation/
H A DFinancial.php157 $basis = ($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 …]
/dports/www/dolibarr13/dolibarr-13.0.5/htdocs/includes/phpoffice/PhpSpreadsheet/Calculation/
H A DFinancial.php157 $basis = ($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 …]
/dports/www/dolibarr/dolibarr-14.0.3/htdocs/includes/phpoffice/phpspreadsheet/src/PhpSpreadsheet/Calculation/
H A DFinancial.php157 $basis = ($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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/basis/libraries.bse/
H A D6-311++g126 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 …]
/dports/math/GiNaC/ginac-1.8.2/ginac/
H A Dpower.cpp113 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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