ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15358 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2016-07-22 22:57:54 +00:00
parent 2f936d5e56
commit 778f4d338c
22 changed files with 694 additions and 246 deletions
Download Patch File Download Diff File Expand all files Collapse all files

5
python/examples/viz_pymol.py
View File

@ -8,6 +8,7 @@
# Nfreq = dump and viz shapshot every this many steps
# Nsteps = run for this many steps
from __future__ import print_function
import sys
sys.path.append("./pizza")
@ -15,7 +16,7 @@ sys.path.append("./pizza")
argv = sys.argv
if len(argv) != 4:
print "Syntax: viz_pymol.py in.lammps Nfreq Nsteps"
print("Syntax: viz_pymol.py in.lammps Nfreq Nsteps")
sys.exit()
infile = sys.argv[1]
@ -78,5 +79,5 @@ while ntimestep < nsteps:
lmp.command("run 0 pre no post yes")
# uncomment if running in parallel via Pypar
#print "Proc %d out of %d procs has" % (me,nprocs), lmp
#print("Proc %d out of %d procs has" % (me,nprocs), lmp)
#pypar.finalize()