| /dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/ |
| H A D | stockholder.cpp | 109 …Atom::fill_adaptive(const BasisSet & basis, const arma::mat & P, const Hirshfeld & hirsh, size_t a… in fill_adaptive()
259 double StockholderAtom::average(const Hirshfeld & hirsh, size_t irad) const { in average() argument
278 void StockholderAtom::update(const Hirshfeld & hirsh, std::vector<double> & dens) { in update()
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| H A D | properties.cpp | 540 Hirshfeld hirsh; in hirshfeld_charges() local
558 Hirshfeld hirsh; in hirshfeld_charges() local
666 Hirshfeld hirsh=stock.get(); in stockholder_charges() local
682 Hirshfeld hirsh=stock.get(); in stockholder_charges() local
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| H A D | hirshfeldi.cpp | 315 Hirshfeld hirsh; in get() local
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| H A D | dftgrid.cpp | 325 void AngularGrid::hirshfeld_weights(const Hirshfeld & hirsh) { in hirshfeld_weights()
2892 angshell_t AngularGrid::construct_hirshfeld(const Hirshfeld & hirsh, double otoler) { in construct_hirshfeld()
2972 void AngularGrid::form_hirshfeld_grid(const Hirshfeld & hirsh) { in form_hirshfeld_grid()
3658 void DFTGrid::construct_hirshfeld(const Hirshfeld & hirsh, double otoler) { in construct_hirshfeld()
4073 arma::mat DFTGrid::eval_hirshfeld_overlap(const Hirshfeld & hirsh, size_t inuc) { in eval_hirshfeld_overlap()
4103 std::vector<arma::mat> DFTGrid::eval_hirshfeld_overlaps(const Hirshfeld & hirsh) { in eval_hirshfeld_overlaps()
4309 arma::vec DFTGrid::compute_atomic_Nel(const Hirshfeld & hirsh, const arma::mat & P) { in compute_atomic_Nel()
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| H A D | localization.cpp | 933 Hirshfeld hirsh; in Pipek() local
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| /dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/ |
| H A D | stockholder.cpp | 109 …Atom::fill_adaptive(const BasisSet & basis, const arma::mat & P, const Hirshfeld & hirsh, size_t a… in fill_adaptive()
259 double StockholderAtom::average(const Hirshfeld & hirsh, size_t irad) const { in average() argument
278 void StockholderAtom::update(const Hirshfeld & hirsh, std::vector<double> & dens) { in update()
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| H A D | properties.cpp | 540 Hirshfeld hirsh; in hirshfeld_charges() local
558 Hirshfeld hirsh; in hirshfeld_charges() local
666 Hirshfeld hirsh=stock.get(); in stockholder_charges() local
682 Hirshfeld hirsh=stock.get(); in stockholder_charges() local
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| H A D | hirshfeldi.cpp | 315 Hirshfeld hirsh; in get() local
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| H A D | dftgrid.cpp | 325 void AngularGrid::hirshfeld_weights(const Hirshfeld & hirsh) { in hirshfeld_weights()
2892 angshell_t AngularGrid::construct_hirshfeld(const Hirshfeld & hirsh, double otoler) { in construct_hirshfeld()
2972 void AngularGrid::form_hirshfeld_grid(const Hirshfeld & hirsh) { in form_hirshfeld_grid()
3658 void DFTGrid::construct_hirshfeld(const Hirshfeld & hirsh, double otoler) { in construct_hirshfeld()
4073 arma::mat DFTGrid::eval_hirshfeld_overlap(const Hirshfeld & hirsh, size_t inuc) { in eval_hirshfeld_overlap()
4103 std::vector<arma::mat> DFTGrid::eval_hirshfeld_overlaps(const Hirshfeld & hirsh) { in eval_hirshfeld_overlaps()
4309 arma::vec DFTGrid::compute_atomic_Nel(const Hirshfeld & hirsh, const arma::mat & P) { in compute_atomic_Nel()
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| H A D | localization.cpp | 933 Hirshfeld hirsh; in Pipek() local
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| /dports/science/shelxle/shelxle-1.0.1352/ |
| H A D | molecule.cpp | 7452 void Molecule::hirsh(Connection bond){ in hirsh() function in Molecule
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| /dports/www/orangehrm/orangehrm-4.9/symfony/lib/vendor/bjeavons/zxcvbn-php/src/Matchers/ |
| H A D | ranked_frequency_lists.json | 1 …n":8,"margaret":9,"dorothy":10,"lisa":11,"nancy":12,"karen":13,"betty":14,"helen":15,"sandra":16,"…
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