修訂. | e6e3273bd5e082ed4109d2927a538b4338f535f1 |
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大小 | 1,702 bytes |
時間 | 2008-09-18 23:34:01 |
作者 | iselllo |
Log Message | I added the file coord_number_calc.py used to calculate the mean-ensemble-averaged time-dependent coordination number. |
#! /usr/bin/env python
#from matplotlib import rc
import scipy as s
#from scipy import stats #I need this module for the linear fit
import numpy as n
import pylab as p
#import scipy.optimize as sopt
#p.rc('text', usetex=True)
ini_conf=0
fin_conf=3000 #configurations I read initially in read_test.tcl
by=2 #I need it to select the elements from time.dat
ini_conf=ini_conf/by
fin_conf=fin_conf/by
time=p.load("../1/time.dat")
#print "time (initially read) is, ", time
print "by is, ", by
#print "len(time) is, ", len(time)
pick_time=s.arange(ini_conf*by,fin_conf*by, by)
#print "pick_time is, ", pick_time
time=time[pick_time]
#print "len(time) at first is, ", len(time)
print "time at the beginning is, ", time
p.save("time_red.dat",time)
overall_coord_number_time_dep=s.zeros((fin_conf-ini_conf))
print "fin_conf-ini_conf is, ", fin_conf-ini_conf
count_config=0
n_dir=10
mean_coord_number_single_box=s.zeros(n_dir)
dir_list=s.arange(n_dir)+1
count_config=0
for my_config in xrange(ini_conf,fin_conf):
my_config=my_config*by
print "my_config is, ", my_config
for m in xrange(len(dir_list)):
dir_name="../%01d"%(dir_list[m])
print "my_config is, ", my_config
#cluster_long=s.zeros(1)
#r_gyr_long=s.zeros(1)
temp_name=dir_name+"/coord_number_dist%05d"%my_config
coord_dist=p.load(temp_name)
mean_coord_number_single_box[m]=coord_dist.mean()
overall_coord_number_time_dep[count_config]=mean_coord_number_single_box.mean()
count_config=count_config+1
p.save("time_evolution_coord_number.dat", overall_coord_number_time_dep)
print "So far so good"