Reproduce: post

The post process of reproduce can be also divided into two types VASP to LAMMPS and LAMMPS to VASP. We will go to every task directory in vasp_lmp_path (vasp_lmp_task) and determine whether it belongs to VASP to LAMMPS or LAMMPS to VASP according to the existence of OUTCAR and log.lammps.

VASP to LAMMPS

Step 1. Every OUTCAR in vasp_lmp_task corresponds to several tasks in the lammps directory. We will first look for the corresponding task ids and get the