def cmpt_eos(task_type, jdata, mdata):
conf_dir = jdata['conf_dir']
#vasp
if task_type == "vasp":
cmpt_01_eos.comput_vasp_eos(jdata, conf_dir)
#lammps
elif task_type in lammps_task_type:
cmpt_01_eos.comput_lmp_eos(conf_dir, task_type)
else:
raise RuntimeError("unknow task ", task_type)
def cmpt_eos(task_type, jdata, mdata):
conf_dir = jdata['conf_dir']
#vasp
if task_type == "vasp":
cmpt_01_eos.comput_vasp_eos(jdata, conf_dir)
#deepmd
elif task_type == "deepmd":
cmpt_01_eos.comput_lmp_eos(conf_dir, 'deepmd')
#meam
elif task_type == "meam":
cmpt_01_eos.comput_lmp_eos(conf_dir, 'meam')
else:
raise RuntimeError("unknow task ", task_type)