Searched refs:orblib (Results 1 – 2 of 2) sorted by relevance
| /dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/ |
| H A D | erifit.cpp | 253 BasisSetLibrary orblib; in unique_exponent_pairs() local
254 orblib.add_element(orbel); in unique_exponent_pairs()
258 get_basis(basis,orblib,orbel); in unique_exponent_pairs()
387 BasisSetLibrary orblib; in compute_fitint() local
388 orblib.add_element(orbel); in compute_fitint()
392 get_basis(orbbas,orblib,orbel); in compute_fitint()
473 BasisSetLibrary orblib; in compute_ERIfit() local
474 orblib.add_element(orbel); in compute_ERIfit()
478 get_basis(orbbas,orblib,orbel); in compute_ERIfit()
564 BasisSetLibrary orblib; in compute_diag_ERIfit() local
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| /dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/ |
| H A D | erifit.cpp | 253 BasisSetLibrary orblib; in unique_exponent_pairs() local
254 orblib.add_element(orbel); in unique_exponent_pairs()
258 get_basis(basis,orblib,orbel); in unique_exponent_pairs()
387 BasisSetLibrary orblib; in compute_fitint() local
388 orblib.add_element(orbel); in compute_fitint()
392 get_basis(orbbas,orblib,orbel); in compute_fitint()
473 BasisSetLibrary orblib; in compute_ERIfit() local
474 orblib.add_element(orbel); in compute_ERIfit()
478 get_basis(orbbas,orblib,orbel); in compute_ERIfit()
564 BasisSetLibrary orblib; in compute_diag_ERIfit() local
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