to=5.0,
resolution=0.1,
orient=HORIZONTAL,
label="Temperature")
slider.bind('<ButtonRelease-1>', settemp)
slider.set(temptarget)
slider.pack(side=LEFT)
Button(frame, text="Quit", command=quit).pack(side=RIGHT)
frame.pack()
tkroot.update()
# wrapper on GnuPlot via Pizza.py gnu tool
if me == 0:
from gnu import gnu
gn = gnu()
gn.plot(xaxis, yaxis)
gn.title(compute, "Timestep", "Temperature")
# endless loop, checking status of GUI settings every Nfreq steps
# run with pre yes/no and post yes/no depending on go/stop status
# re-invoke fix langevin with new seed when temperature slider changes
# after re-invoke of fix langevin, run with pre yes
running = 0
temp = temptarget
seed = 12345
lmp.command("fix 2 all langevin %g %g 0.1 %d" % (temp, temp, seed))
while 1:
#!/usr/bin/env python
# Script: logplot.py
# Purpose: use GnuPlot to plot two columns from a LAMMPS log file
# Syntax: logplot.py log.lammps X Y
# log.lammps = LAMMPS log file
# X,Y = plot Y versus X where X,Y are thermo keywords
# once plot appears, you are in Python interpreter, type C-D to exit
# Author: Steve Plimpton (Sandia), sjplimp at sandia.gov
import sys, os, code
path = os.environ["LAMMPS_PYTHON_TOOLS"]
sys.path.append(path)
from log import log
from gnu import gnu
if len(sys.argv) != 4:
raise Exception("Syntax: logplot.py log.lammps X Y")
logfile = sys.argv[1]
xlabel = sys.argv[2]
ylabel = sys.argv[3]
lg = log(logfile)
x, y = lg.get(xlabel, ylabel)
g = gnu()
g.plot(x, y)
code.interact()
Button(frame,text="Run",command=run).pack(side=LEFT)
Button(frame,text="Stop",command=stop).pack(side=LEFT)
slider = Scale(frame,from_=0.0,to=5.0,resolution=0.1,
orient=HORIZONTAL,label="Temperature")
slider.bind('<ButtonRelease-1>',settemp)
slider.set(temptarget)
slider.pack(side=LEFT)
Button(frame,text="Quit",command=quit).pack(side=RIGHT)
frame.pack()
tkroot.update()
# wrapper on GnuPlot via Pizza.py gnu tool
if me == 0:
from gnu import gnu
gn = gnu()
gn.plot(xaxis,yaxis)
gn.title(compute,"Timestep","Temperature")
# endless loop, checking status of GUI settings every Nfreq steps
# run with pre yes/no and post yes/no depending on go/stop status
# re-invoke fix langevin with new seed when temperature slider changes
# after re-invoke of fix langevin, run with pre yes
running = 0
temp = temptarget
seed = 12345
lmp.command("fix 2 all langevin %g %g 0.1 %d" % (temp,temp,seed))
while 1:
#!/usr/local/bin/python -i # Script: logplot.py # Purpose: use GnuPlot to plot two columns from a LAMMPS log file # Syntax: logplot.py log.lammps X Y # log.lammps = LAMMPS log file # X,Y = plot Y versus X where X,Y are thermo keywords # once plot appears, you are in Python interpreter, type C-D to exit # Author: Steve Plimpton (Sandia), sjplimp at sandia.gov import sys,os path = os.environ["LAMMPS_PYTHON_TOOLS"] sys.path.append(path) from log import log from gnu import gnu if len(sys.argv) != 4: raise StandardError, "Syntax: logplot.py log.lammps X Y" logfile = sys.argv[1] xlabel = sys.argv[2] ylabel = sys.argv[3] lg = log(logfile) x,y = lg.get(xlabel,ylabel) g = gnu() g.plot(x,y) print "Type Ctrl-D to exit Python"
