iodata.test.test_qchemlog module

Test iodata.formats.qchemlog module.

test_load_one_h2o_dimer_eda2()

Test load_one with h2o_dimer_eda_qchem5.3.out.

test_load_one_qchemlog_freq()

test_load_qchemlog_low_h2o()

Test load_qchemlog_low with water_hf_ccpvtz_freq_qchem.out.

test_load_qchemlog_low_qchemlog_h2o_dimer_eda2()

Test load_qchemlog_low with h2o_dimer_eda_qchem5.3.out.