lmp2xyz.rst

Convert lammps structure to XYZ file ===========

#!/bin/sh
#lipai@mail.ustc.edu.cn
if [ -d "xyz" ] ; then rm -rf xyz; fi
if [ -f "movie.xyz" ]; then rm movie.xyz;fi
for i in `seq 0 4000`
do
      if [ -f "POSCAR-$i" ];then
            pos2xyz.pl POSCAR-$i
            cat POSCAR-$i.xyz >>movie.xyz
      else
            break
      fi
done
mkdir xyz
mv *.xyz xyz