#!/usr/bin/env python -i # preceeding line should have path for Python on your machine # trivial.py # Purpose: run a LAMMPS input script via Python # Syntax: trivial.py in.lammps # in.lammps = LAMMPS input script import sys # parse command line argv = sys.argv if len(argv) != 2: print "Syntax: trivial.py in.lammps" sys.exit() infile = sys.argv[1] from lammps import lammps lmp = lammps() # run infile all at once lmp.file(infile) # or run infile one line at a time #lines = open(infile,'r').readlines() #for line in lines: lmp.command(line)