Example #1
0
     # show a nice demo to impress your boss.
     S = System(N=500)
     S.fill()
     S.makebox()
     i = 0
     while True:
         S.trialMove()
         #S.checkEnergyConsistency()
         if i%100 == 0:
             S.display()
             print "\r%9d"%i, S.energy(), S.pressure()
             sys.stdout.flush()
         i += 1
 elif len(sys.argv) > 1 and sys.argv[1] == "exp1":
     # something to do an experiment
     opts, args = cliargs.get_cliargs()
     disp = False
     rho = float(args["rho"])
     T = float(args["T"])
     boxedge = 17.5
     S = System(N=int(rho * boxedge**3),
                boxsize=(boxedge, boxedge, boxedge),
                beta=1./T,
                trialMoveScale=float(args["move"]))
     print S.N
     name = "eqled-rho_%s-temp_%s"%(args["rho"], args["T"])
     series = "2scale/"
     #name = "test"
     #S.fill(10, 10, 10, scale=1.72)
     S.fillRandom() 
     S.removeOverlaps()
Example #2
0
import math
import os
import sys
import numpy

import dragunov
import cliargs
args, options = cliargs.get_cliargs()
#if not options.has_key("series"):
#    options["series"] = "2scale/"

if options["series"] == "1scale/":
    FFid=1
    runs = [
    {"rho":1.00, "T":.03, "move":.15 },
    {"rho":1.00, "T":.04, "move":.15 },
    {"rho":1.00, "T":.05, "move":.20 },
    {"rho":1.00, "T":.06, "move":.20 },
    {"rho":1.00, "T":.07, "move":.25 },

    {"rho":1.21, "T":.03, "move":.15 },
    {"rho":1.21, "T":.04, "move":.15 },
    {"rho":1.21, "T":.05, "move":.20 },
    {"rho":1.21, "T":.06, "move":.20 },
    {"rho":1.21, "T":.07, "move":.20 },

    {"rho":1.66, "T":.03, "move":.12 },
    {"rho":1.66, "T":.04, "move":.12 },
    {"rho":1.66, "T":.05, "move":.15 },
    {"rho":1.66, "T":.06, "move":.15 },
    {"rho":1.66, "T":.07, "move":.15 },