start porting some LAMMPS python module examples to python3 with compatibility to python2

This commit is contained in:
Axel Kohlmeyer
2016-07-19 16:59:57 -04:00
parent ec9c9a235a
commit 21ea3ccfb7
18 changed files with 148 additions and 109 deletions

View File

@ -12,6 +12,7 @@
# IMPORTANT: this script cannot yet be run in parallel via Pypar,
# because I can't seem to do a MPI-style broadcast in Pypar
from __future__ import print_function
import sys,time
sys.path.append("./pizza")
@ -47,7 +48,7 @@ def update(ntimestep):
argv = sys.argv
if len(argv) != 4:
print "Syntax: vizplotgui_vmd.py in.lammps Nfreq compute-ID"
print("Syntax: vizplotgui_vmd.py in.lammps Nfreq compute-ID")
sys.exit()
infile = sys.argv[1]
@ -105,7 +106,10 @@ if me == 0:
# display GUI with run/stop buttons and slider for temperature
if me == 0:
from Tkinter import *
try:
from Tkinter import *
except:
from tkinter import *
tkroot = Tk()
tkroot.withdraw()
root = Toplevel(tkroot)
@ -169,5 +173,5 @@ while 1:
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()