#Written by Magnar K. Bugge
from math import sqrt
from numpy import linspace
import pypar
import MC
nprocs = pypar.size() #Number of processes
myid = pypar.rank() #Id of this process
MCcycles = 10000000 #Number of MC cycles
MCcycles2 = 10000 #Number of MC cycles for determination of optimal delta
delta_min = .01 #Minimum length of Metropolis step
delta_max = 2.0 #Maximum length of Metropolis step
tolerance = .01
idum = MC.seed() * (
myid + 1) #Seed for random number generator (different for each process)
#Function which should be close to zero for optimal delta
def difference(delta):
x = MC.runMC(MCcycles2, delta, idum, alpha)
return x.accepted * 1.0 / MCcycles2 - .5 #We want 50% accepted moves
#Array of alpha values
values = linspace(1.4, 2.0, 13) #(alpha values)
if myid == 0:
outfile = open('data', 'w')
#Written by Magnar K. Bugge
from math import sqrt
from numpy import linspace
import pypar
import MC
nprocs = pypar.size() #Number of processes
myid = pypar.rank() #Id of this process
MCcycles = 10000000 #Number of MC cycles
MCcycles2 = 10000 #Number of MC cycles for determination of optimal delta
delta_min = .01 #Minimum length of Metropolis step
delta_max = 2.0 #Maximum length of Metropolis step
tolerance = .01
idum = MC.seed() * (myid+1) #Seed for random number generator (different for each process)
#Function which should be close to zero for optimal delta
def difference(delta):
x = MC.runMC(MCcycles2,delta,idum,alpha)
return x.accepted*1.0/MCcycles2 - .5 #We want 50% accepted moves
#Array of alpha values
values = linspace(1.4,2.0,13) #(alpha values)
if myid == 0:
outfile = open('data','w')
#Loop over alpha values
for alpha in values:
#Variational Monte Carlo program for the Helium atom which utilizes the code in MC.cpp
#Written by Magnar K. Bugge
from math import sqrt
from numpy import linspace
import MC
MCcycles = 100000000 #Number of MC cycles
MCcycles2 = 10000 #Number of MC cycles for determination of optimal delta
delta_min = .01 #Minimum length of Metropolis step
delta_max = 2.0 #Maximum length of Metropolis step
tolerance = .01
idum = MC.seed() #Seed for random number generator
#Function which should be close to zero for optimal delta
def difference(delta):
x = MC.runMC(MCcycles2, delta, idum, alpha)
return x.accepted * 1.0 / MCcycles2 - .5 #We want 50% accepted moves
#Array of alpha values
values = linspace(1.4, 2.5, 23) #(alpha values)
outfile = open('data', 'w')
#Loop over alpha values
for alpha in values:
#Determination of optimal delta value (for each alpha), i.e.
#finding the zero-point of the difference function by the bisection method
myid = pypar.rank() #Id of this process
class result:
alpha = 0.0
E = 0.0
sigma = 0.0
error = 0.0
acceptance = 0.0
id = 0 #id of the process who did this job
MCcycles = 100000000 #Number of MC cycles
MCcycles2 = 10000 #Number of MC cycles for determination of optimal delta
delta_min = .01 #Minimum length of Metropolis step
delta_max = 2.0 #Maximum length of Metropolis step
tolerance = .01
idum = MC.seed() * (myid+1) #Seed for random number generator (different for each process)
#Function which should be close to zero for optimal delta
def difference(delta):
x = MC.runMC(MCcycles2,delta,idum,alpha)
return x.accepted*1.0/MCcycles2 - .5 #We want 50% accepted moves
#Function for sorting the results from small to large alpha
def sort(results):
sorted_results = []
for i in xrange(len(values)):
sorted_results.append(result())
sorted_results[i].alpha = values[i]
j = 0
while results[j].alpha != sorted_results[i].alpha:
#Variational Monte Carlo program for the Helium atom which utilizes the code in MC.cpp
#Written by Magnar K. Bugge
from math import sqrt
from numpy import linspace
import MC
MCcycles = 100000000 #Number of MC cycles
MCcycles2 = 10000 #Number of MC cycles for determination of optimal delta
delta_min = .01 #Minimum length of Metropolis step
delta_max = 2.0 #Maximum length of Metropolis step
tolerance = .01
idum = MC.seed() #Seed for random number generator
#Function which should be close to zero for optimal delta
def difference(delta):
x = MC.runMC(MCcycles2,delta,idum,alpha)
return x.accepted*1.0/MCcycles2 - .5 #We want 50% accepted moves
#Array of alpha values
values = linspace(1.4,2.5,23) #(alpha values)
outfile = open('data','w')
#Loop over alpha values
for alpha in values:
#Determination of optimal delta value (for each alpha), i.e.
#finding the zero-point of the difference function by the bisection method
minimum = delta_min
maximum = delta_max