Searched defs:fitbas (Results 1 – 8 of 8) sorted by relevance
| /dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/atom/ |
| H A D | integrals.cpp | 336 arma::vec integral(const std::vector<bf_t> & fitbas, bool coulomb=false) { in integral()
360 arma::mat coulomb_coul(const std::vector<bf_t> & basis, const std::vector<bf_t> & fitbas, const arm… in coulomb_coul()
432 arma::mat coulomb_ovl(const std::vector<bf_t> & basis, const std::vector<bf_t> & fitbas, const arma… in coulomb_ovl()
518 arma::mat coulomb(const std::vector<bf_t> & basis, const std::vector<bf_t> & fitbas, const arma::ma… in coulomb()
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| /dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/atom/ |
| H A D | integrals.cpp | 336 arma::vec integral(const std::vector<bf_t> & fitbas, bool coulomb=false) { in integral()
360 arma::mat coulomb_coul(const std::vector<bf_t> & basis, const std::vector<bf_t> & fitbas, const arm… in coulomb_coul()
432 arma::mat coulomb_ovl(const std::vector<bf_t> & basis, const std::vector<bf_t> & fitbas, const arma… in coulomb_ovl()
518 arma::mat coulomb(const std::vector<bf_t> & basis, const std::vector<bf_t> & fitbas, const arma::ma… in coulomb()
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| /dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/ |
| H A D | erifit.cpp | 395 BasisSet fitbas; in compute_fitint() local
481 BasisSet fitbas; in compute_ERIfit() local
572 BasisSet fitbas; in compute_diag_ERIfit() local
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| H A D | localization.cpp | 1203 Edmiston::Edmiston(const BasisSet & basis, const BasisSet & fitbas, const arma::mat & Cv, bool delo… in Edmiston()
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| /dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/ |
| H A D | erifit.cpp | 395 BasisSet fitbas; in compute_fitint() local
481 BasisSet fitbas; in compute_ERIfit() local
572 BasisSet fitbas; in compute_diag_ERIfit() local
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| H A D | localization.cpp | 1203 Edmiston::Edmiston(const BasisSet & basis, const BasisSet & fitbas, const arma::mat & Cv, bool delo… in Edmiston()
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| /dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/xrs/ |
| H A D | main.cpp | 224 BasisSet fitbas=basis.density_fitting(); in augmented_solution() local
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| /dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/xrs/ |
| H A D | main.cpp | 224 BasisSet fitbas=basis.density_fitting(); in augmented_solution() local
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