iodata.test.test_mwfn module

Test iodata.formats.mwfn module.

load_helper(fn)

Load a test file with iodata.iodata.load_one.

load_modified(tmpdir, fn, modify)

Load a test file after a modification of its text.

test_load_mwfn_ch3_hf_g03()

test_load_mwfn_ch3_rohf_g03()

test_load_mwfn_fractional_occupations(tmp_path)

test_load_mwfn_he_spdfgh_g03()

test_load_mwfn_matrices_ch3_hf()

test_load_mwfn_matrices_ch3_rohf()

test_load_mwfn_matrices_errors(tmpdir, old, new, match)

test_load_mwfn_matrices_he_spdfgh_total_density()

test_load_mwfn_matrices_multiconfiguration(tmpdir)

test_load_mwfn_matrices_no_beta(tmpdir)

test_load_mwfn_matrices_other_matrix_skipped(tmpdir)

test_matrix_header_pattern(header, name, nrow, ncol, lower)

test_matrix_header_pattern_no_match(header)

test_nelec_charge()