Searched refs:eigVecUNOCC_alpha (Results 1 – 2 of 2) sorted by relevance
774 …!eigVecUNOCC_alpha.empty() && !eigVecOCC_alpha.empty()) // ensure that we computed vectors in prev… in get_new_density_matrix()802 …DensFromFock.get_computed_eigenpairs(eigVecUNOCC_alpha, eigVecOCC_alpha, eigValUNOCC_alpha, eigVal… in get_new_density_matrix()1368 if(! eigVecUNOCC_alpha.empty() && ! eigVecUNOCC_beta.empty() ) in create_eigenvectors_files()1370 create_eigvec_file(eigVecUNOCC_alpha[0], eigVecUNOCC_beta[0], in create_eigenvectors_files()1373 assert(eigVecUNOCC_alpha.size() == eigVecUNOCC_beta.size()); in create_eigenvectors_files()1374 for (size_t i = 1; i < eigVecUNOCC_alpha.size(); i++) in create_eigenvectors_files()1379 create_eigvec_file(eigVecUNOCC_alpha[i], eigVecUNOCC_beta[i], in create_eigenvectors_files()1498 if (eigVecOCC_alpha.empty() || eigVecUNOCC_alpha.empty() || in create_gabedit_file()1596 for (size_t orb = 0; orb < eigVecUNOCC_alpha.size(); orb++) in create_gabedit_file()1599 eigVecUNOCC_alpha[orb].fullvector(orb_vec_perm); in create_gabedit_file()
153 std::vector<generalVector> eigVecUNOCC_alpha; variable