def test__proc():
""" Run ProcDriver
"""
print('RUN test__proc')
run_mechdriver('run_proc.temp', TMP_DIR, TMP_INP_DIR, CWD_INP_DIR,
TMP_RUN_DIR, TMP_SAVE_DIR)
def test__radrad():
""" Run es, thermo, and rates for PES with instabilities
"""
print('RUN test__radrad')
run_mechdriver('run_c2h5_h_1dhrfa.temp', TMP_DIR, TMP_INP_DIR, CWD_INP_DIR,
TMP_RUN_DIR, TMP_SAVE_DIR)
def test__1dhrfa():
""" Run es, thermo, and rates for PES; standard run
"""
print('RUN test__1dhrfa')
run_mechdriver('run_c2h6_h_1dhrfa.temp', TMP_DIR, TMP_INP_DIR, CWD_INP_DIR,
TMP_RUN_DIR, TMP_SAVE_DIR)
def __instab():
""" Run es, thermo, and rates for PES with instabilities
"""
run_mechdriver('run_ch2ooh_rrho.temp', TMP_DIR, TMP_INP_DIR, CWD_INP_DIR,
TMP_RUN_DIR, TMP_SAVE_DIR)