Python nstrip 예제들

예제 #1

파일: final_relax_output.py 프로젝트: hess8/pythonscripts

#Write C-C expansion
writeCCDistances(checkedList)
print 'CCdist', os.getcwd() 
#Check convergence
writeConverge(checkedList) 
print 'converge', os.getcwd() 
#number of relaxation steps
writeSteps(checkedList)
print 'writeSteps', os.getcwd() 
################# 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()

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

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

예제 #2

    '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()

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

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

예제 #3

#Check number of electronic steps
writeElSteps(checkedList)

#Check Vasp finish
writeFinish(checkedList)

#Check Number of electronic steps finish
writeElConverge(checkedList)

################# spreadsheet #################
#Open data files
os.chdir(dir)
outfile = open('isolated_atoms.csv', 'w')

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

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

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

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

file = open('finish', 'r')

예제 #4

파일: isolated_atom_output.py 프로젝트: hess8/pythonscripts

#Check number of electronic steps
writeElSteps(checkedList) 

#Check Vasp finish
writeFinish(checkedList) 

#Check Number of electronic steps finish
writeElConverge(checkedList) 

################# spreadsheet #################
#Open data files
os.chdir(dir)
outfile = open('isolated_atoms.csv','w')

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

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

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

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

file = open('finish','r')