Home
last modified time | relevance | path

Searched refs:GetCombinedFockMatrices (Results 1 – 3 of 3) sorted by relevance

/dports/science/ergo/ergo-3.8/source/scf/
H A Ddiis_unrestricted.h55 int GetCombinedFockMatrices(symmMatrix & result_alpha,
H A Ddiis_unrestricted.cc170 int DIISManagerUnrestricted::GetCombinedFockMatrices(symmMatrix & result_alpha, in GetCombinedFockMatrices() function in DIISManagerUnrestricted
H A DSCF_unrestricted.cc699 if(((DIISManagerUnrestricted*)DIIS)->GetCombinedFockMatrices(newFsymm_alpha, newFsymm_beta) != 0) in use_diis_to_get_new_fock_matrix()