print dirs
writeEnergiesOszicar(dirs)
writedirnames(dirs)
writeNkIBZ(dirs)
writeNk(dirs)
writeElConverge(dirs)
writeElSteps(dirs)
writeCPUtime(dirs)
parts = enerparts(dirs)
print 'Plotting DOS'
for d in dirs:
path = maindir + d +'/'
try:
vasputil_dosplot([], ["DOSCAR"], path) #options, args, dir
plt.close()
except:
print 'Fail:'+ path
os.chdir(maindir)
#print'parts'; print parts
#find deviation from average for each part
means = mean(parts,axis=0)
#print'means';print means
deviations = abs(parts - means) + 1e-16 #last term to handle zero entries
#print'deviations';print deviations
try:
file2 = open('lattype','r'); lattype = file2.read(); file2.close()
except:
orthdef, icy, isinteger, areEqual, isreal, isindependent, trimSmall, cosvecs, \
load_ctypes_3x3_double, unload_ctypes_3x3_double, unload_ctypes_3x3xN_double, \
getGroup, checksymmetry, nonDegen, MT2mesh, matchDirection, symmetryError,\
latticeType, packingFraction, mink_reduce, lattvec_u,arenormal,\
unique_anorms, intsymops, create_poscar, searchsphere
from numpy import array, arccos, dot, cross, pi, floor, sum, sqrt, exp, log, asarray
from numpy import transpose,rint,inner,multiply,size,argmin,argmax,nonzero,float64, identity
from numpy import ceil,real,unravel_index, outer, fmod, amin, amax
from scipy.optimize import minimize
from copy import copy,deepcopy
fprec=float64
from numpy import zeros #use arrays, not "matrix" class
#from numpy.matlib import zeros, matrix #creates np.matrix rather than array, but limited to 2-D!!!! uses *, but array uses matrixmultiply
from numpy.linalg import norm, det, inv, eig
from numpy.random import randint,random
from itertools import combinations
from pylab import frange
#from ceScriptTools import runningJobs
from pylab import *
sys.path.append('/bluehome2/bch/pythonscripts/cluster_expansion/analysis_scripts/plotting/')
from plotTools import plotxy,vasputil_dosplot
maindir = '/fslhome/bch/trash/'
os.chdir(maindir)
for file in ['8x8_DOSCAR_Struct_105', '16x16_DOSCAR_Struct_105','32x32_DOSCAR_Struct_105']:
vasputil_dosplot([], [file], maindir) #options, args, dir
os.system('mv dos.png %s.png' % file)
print 'done'
