Searched refs:eigVecOCC_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()1351 if(! eigVecOCC_alpha.empty() && ! eigVecOCC_beta.empty() ) in create_eigenvectors_files()1353 create_eigvec_file(eigVecOCC_alpha[0], eigVecOCC_beta[0], in create_eigenvectors_files()1356 assert(eigVecOCC_alpha.size() == eigVecOCC_beta.size()); in create_eigenvectors_files()1357 for (size_t i = 1; i < eigVecOCC_alpha.size(); i++) in create_eigenvectors_files()1362 create_eigvec_file(eigVecOCC_alpha[i], eigVecOCC_beta[i], in create_eigenvectors_files()1498 if (eigVecOCC_alpha.empty() || eigVecUNOCC_alpha.empty() || in create_gabedit_file()1578 for (int orb = (int)eigVecOCC_alpha.size()-1; orb >= 0; orb--) // note that orb can be negative in create_gabedit_file()1581 eigVecOCC_alpha[orb].fullvector(orb_vec_perm); in create_gabedit_file()
152 std::vector<generalVector> eigVecOCC_alpha; variable