add example with passing cmdline flags to the LAMMPS instance

This commit is contained in:
Axel Kohlmeyer
2015-09-02 17:05:26 -04:00
parent 24073fb8cd
commit 8bc71f43ff
3 changed files with 37 additions and 9 deletions

View File

@ -1,16 +1,10 @@
#!/usr/bin/env python -i
# preceeding line should have path for Python on your machine
# simple.py
# Purpose: mimic operation of couple/simple/simple.cpp via Python
# Syntax: simple.py in.lammps
# in.lammps = LAMMPS input script
infile = 'in.simple'
me = 0
from lammps import lammps
lmp = lammps(cmdargs=['-echo','screen'])
lmp = lammps()
# run infile one line at a time