def prep_multi_vasp_from_file(attribute, job_list_file): ''' Example: pyvasp prep_multi_vasp_from_file -a kppa=4000,node_name=super_q,cpu_num=12,job_name=struc_opt job_list_file For more help you can refer to https://pyvaspflow.readthedocs.io/zh_CN/latest/prepare.html#prep-multi-vasp ''' job_list = np.loadtxt(job_list_file, dtype=int) pmv(job_list=job_list, kw=us.get_kw(attribute))
def prep_multi_vasp(attribute, start_job_num, end_job_num): ''' Example: pyvasp prep_multi_vasp -s 2 -a kppa=4000,node_name=super_q,cpu_num=12,job_name=struc_opt 20 prepare multiple vasp task from POSCAR2 to POSCAR20 For more help you can refer to https://pyvaspflow.readthedocs.io/zh_CN/latest/prepare.html#prep-multi-vasp ''' pmv(start_job_num, int(end_job_num), kw=us.get_kw(attribute))