coordinate file in "sys_configs"

[cui-hq]

Is it just support POSCAR format, can I use pdb or xyz?

[njzjz]

See #441, #508, #993.

[ramonmi]

As mentioned in #441, the .xyz format file lacks ABC info. I find that when I used .xyz format file in sys_configs, the ABC info of the confs/000.0000.lmp file in 01.model_devi step has been added with 100 by default, as shown in the figure below.

• Could I get the right ABC info in .lmp file by supplementing it in the second row of .xyz file? PS: Now the second row of .xyz file is blank.

• Or, I must use poscar format to achieve the ideal results?

• use .xyz in sys_configs
  

• use poscar in sys_configs