iodata.test.test_molden module¶

Test iodata.formats.molden module.

test_generalized_orbitals()[source]¶

test_load_be_cisd_321g_psi4()[source]¶

test_load_dump_consistency(tmpdir, fn, match, allow_changes)[source]¶

test_load_molden_cfour(path, should_warn)[source]¶

test_load_molden_f()[source]¶

test_load_molden_h2o_6_31g_d_cart_psi4()[source]¶

test_load_molden_h2o_orca()[source]¶

test_load_molden_he2_ghost_psi4_1()[source]¶

test_load_molden_high_am_orca(case)[source]¶

test_load_molden_high_am_psi4(case)[source]¶

test_load_molden_li2_orca()[source]¶

test_load_molden_li2_orca_huge_threshold()[source]¶

test_load_molden_low_nh3_molden_cart()[source]¶

test_load_molden_neon_turbomole()[source]¶

test_load_molden_nh3_aug_cc_pvqz_cart_psi4()[source]¶

test_load_molden_nh3_molden_cart()[source]¶

test_load_molden_nh3_molden_pure()[source]¶

test_load_molden_nh3_molpro2012()[source]¶

test_load_molden_nh3_orca()[source]¶

test_load_molden_nh3_psi4()[source]¶

test_load_molden_nh3_psi4_1()[source]¶

test_load_molden_nh3_turbomole()[source]¶

test_mixed_pure_cartesian(tmpdir)[source]¶