import scipy as Sci
import scipy.linalg
from visual import *
import functions as fun
import time
from config import *
from time import clock
import datetime
# record current time
now = datetime.datetime.now()
time = now.strftime("%Y-%m-%d %H:%M")
# initialize simulation
fun.initializeFiles()
initPos = fun.initPos()
initVelo = fun.initVelo(initPos)
# initialize visualization with vpython
fun.initializeBox()
balls = []
for i in range(0, NUMBER_PARTICLES):
balls.append(sphere(pos=initPos[i], radius=0.05))
# perform calcuations for first integration step
eKin = (initVelo ** 2).sum() * 0.5
initialForce, ePot = fun.computeForce(initPos)
eTot = eKin + ePot
currVelo = initVelo
currPos = initPos
currF = initialForce
import numpy as np
import scipy as sci
import functions as fun
import visual as vis
from config import*
fileNamePosition = "MC_500_positions.txt"
fileNameEnergy = "MC_500_energies.txt"
fun.initializeFilesMC(fileNamePosition,fileNameEnergy)
positions = np.zeros((NUMBER_PARTICLES,3))
positions = fun.initPos()
accepted = 0.
rejected = 0.
monitorRatio = []
currentEnergy = 0.
trialEnergy = 0.
#initialize visualization with vpython
fun.initializeBox()
balls = []
for i in range(0,NUMBER_PARTICLES):
balls.append(vis.sphere(pos = positions[i], radius = 0.05))
#initialize storage array for energy
energy = np.zeros(NUMBER_STEPS)
#start Metropolis Monte Carlo
for i in range(0,NUMBER_STEPS):
trialAtom = np.random.random_integers(0,NUMBER_PARTICLES-1)
import numpy as np
import scipy as sci
import functions as fun
import visual as vis
from config import *
fileNamePosition = "MC_500_positions.txt"
fileNameEnergy = "MC_500_energies.txt"
fun.initializeFilesMC(fileNamePosition, fileNameEnergy)
positions = np.zeros((NUMBER_PARTICLES, 3))
positions = fun.initPos()
accepted = 0.
rejected = 0.
monitorRatio = []
currentEnergy = 0.
trialEnergy = 0.
#initialize visualization with vpython
fun.initializeBox()
balls = []
for i in range(0, NUMBER_PARTICLES):
balls.append(vis.sphere(pos=positions[i], radius=0.05))
#initialize storage array for energy
energy = np.zeros(NUMBER_STEPS)
#start Metropolis Monte Carlo
for i in range(0, NUMBER_STEPS):
trialAtom = np.random.random_integers(0, NUMBER_PARTICLES - 1)
import scipy as Sci
import scipy.linalg
from visual import *
import functions as fun
import time
from config import *
from time import clock
import datetime
#record current time
now = datetime.datetime.now()
time = now.strftime("%Y-%m-%d %H:%M")
#initialize simulation
fun.initializeFiles()
initPos = fun.initPos()
initVelo = fun.initVelo(initPos)
#initialize visualization with vpython
fun.initializeBox()
balls = []
for i in range(0, NUMBER_PARTICLES):
balls.append(sphere(pos=initPos[i], radius=0.05))
#perform calcuations for first integration step
eKin = (initVelo**2).sum() * 0.5
initialForce, ePot = fun.computeForce(initPos)
eTot = eKin + ePot
currVelo = initVelo
currPos = initPos
currF = initialForce
