Searched refs:F_ort_prev_w (Results 1 – 2 of 2) sorted by relevance
| /dports/science/ergo/ergo-3.8/source/densfromf/ |
| H A D | GetDensFromFock.cc | 271 const symmMatrixWrap & F_ort_prev_w, in get_eucl_diff_with_adapted_accuracy() argument
278 …maxEigValMovement_eucl = symmMatrixWrap::eucl_diff(F_w, F_ort_prev_w, acc, maxIterForEuclDiff) + a… in get_eucl_diff_with_adapted_accuracy()
286 maxEigValMovement_eucl = symmMatrixWrap::eucl_diff(F_w, F_ort_prev_w, acc2) + acc2; in get_eucl_diff_with_adapted_accuracy()
414 symmMatrixWrap F_ort_prev_w; in get_dens_from_fock_sparse() local
415 transform_matrix_from_to(F_ort_prev, F_ort_prev_w, params); in get_dens_from_fock_sparse()
426 ergo_real maxEigValMovement_frob = symmMatrixWrap::frob_diff(F_w, F_ort_prev_w); in get_dens_from_fock_sparse()
433 …ergo_real maxEigValMovement_mixed = symmMatrixWrap::mixed_diff(F_w, F_ort_prev_w, acc) + acc; in get_dens_from_fock_sparse()
437 … ergo_real maxEigValMovement_eucl = get_eucl_diff_with_adapted_accuracy(n, F_w, F_ort_prev_w, acc); in get_dens_from_fock_sparse()
537 F_ort_prev_w.clear(); in get_dens_from_fock_sparse()
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| /dports/science/ergo/ergo-3.8/source/scf/ |
| H A D | SCF_restricted.cc | 299 const symmMatrix & F_ort_prev_w, in get_eucl_diff_with_adapted_accuracy() argument
306 … maxEigValMovement_eucl = symmMatrix::eucl_diff(F_w, F_ort_prev_w, acc, maxIterForEuclDiff) + acc; in get_eucl_diff_with_adapted_accuracy()
314 maxEigValMovement_eucl = symmMatrix::eucl_diff(F_w, F_ort_prev_w, acc2) + acc2; in get_eucl_diff_with_adapted_accuracy()
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