Example #1
0
        plt.close()
    except:
        print 'Fail:' + path
print 'Collating plots'
os.chdir(mainDir)
tablelist = []
tableorder = [
    'Ti', 'V', 'Cr', 'Mn', 'Fe', 'Co', 'Ni', 'Zr', 'Nb_pv', 'Mo', 'Tc', 'Ru',
    'Rh', 'Pd', 'Hf', 'Ta', 'W', 'Re', 'Os', 'Ir', 'Pt'
]
for elem in tableorder:
    for path in checkedList:
        if elem in path:
            tablelist.append(path)

collate_plots(tablelist, 'dos.png', 'dos.png')

################# summary spreadsheet #################
#Open data files

os.chdir(dir)

file = open('elements', 'r')
elements = nstrip(file.readlines())
file.close()
print elements

file = open('energies', 'r')
energies = nstrip(file.readlines())
file.close()
Example #2
0
for path in checkedList:
    try:
        vasputil_dosplot([], ["DOSCAR"], path) #options, args, dir
    except:
        print 'Fail:'+ path
print 'Collating plots'
os.chdir(mainDir)
tablelist = []
tableorder = ['Ti','V','Cr','Mn','Fe','Co','Ni',
              'Zr','Nb_pv','Mo','Tc','Ru','Rh','Pd',
              'Hf','Ta','W','Re','Os','Ir','Pt']
for elem in tableorder:
    for path in checkedList:
        if elem in path:
            tablelist.append(path)             
collate_plots(tablelist,'dos.png','stretch_dos.png')

################# summary spreadsheet #################
#Open data files

os.chdir(dir)

file = open('elements','r')  
elements = nstrip(file.readlines())
file.close()
print elements

file = open('energies','r')
energies = nstrip(file.readlines())
file.close()
Example #3
0
    "Rh",
    "Pd",
    "Hf",
    "Ta",
    "W",
    "Re",
    "Os",
    "Ir",
    "Pt",
]
for elem in tableorder:
    for path in checkedList:
        if elem in path:
            tablelist.append(path)

collate_plots(tablelist, "dos.png", "dos.png")

################# summary spreadsheet #################
# Open data files

os.chdir(dir)

file = open("elements", "r")
elements = nstrip(file.readlines())
file.close()
print elements

file = open("energies", "r")
energies = nstrip(file.readlines())
file.close()
Example #4
0
    try:
        vasputil_dosplot([], ["DOSCAR"], path)  #options, args, dir
    except:
        print 'Fail:' + path
print 'Collating plots'
os.chdir(mainDir)
tablelist = []
tableorder = [
    'Ti', 'V', 'Cr', 'Mn', 'Fe', 'Co', 'Ni', 'Zr', 'Nb_pv', 'Mo', 'Tc', 'Ru',
    'Rh', 'Pd', 'Hf', 'Ta', 'W', 'Re', 'Os', 'Ir', 'Pt'
]
for elem in tableorder:
    for path in checkedList:
        if elem in path:
            tablelist.append(path)
collate_plots(tablelist, 'dos.png', 'stretch_dos.png')

################# summary spreadsheet #################
#Open data files

os.chdir(dir)

file = open('elements', 'r')
elements = nstrip(file.readlines())
file.close()
print elements

file = open('energies', 'r')
energies = nstrip(file.readlines())
file.close()