Searched refs:compute_ERIs (Results 1 – 4 of 4) sorted by relevance
| /dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/ |
| H A D | erifit.h | 45 void compute_ERIs(const BasisSet & basis, arma::mat & eris);
47 void compute_ERIs(const ElementBasisSet & orbel, arma::mat & eris);
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| H A D | erifit.cpp | 81 void compute_ERIs(const BasisSet & basis, arma::mat & eris) { in compute_ERIs() function
172 void compute_ERIs(const ElementBasisSet & orbel, arma::mat & eris) { in compute_ERIs() function
182 compute_ERIs(basis,eris); in compute_ERIs()
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| /dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/ |
| H A D | erifit.h | 45 void compute_ERIs(const BasisSet & basis, arma::mat & eris);
47 void compute_ERIs(const ElementBasisSet & orbel, arma::mat & eris);
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| H A D | erifit.cpp | 81 void compute_ERIs(const BasisSet & basis, arma::mat & eris) { in compute_ERIs() function
172 void compute_ERIs(const ElementBasisSet & orbel, arma::mat & eris) { in compute_ERIs() function
182 compute_ERIs(basis,eris); in compute_ERIs()
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