예제 #1
0
 def setup(self):
     datadir = os.path.abspath(os.path.dirname(__file__)) + "/data/"
     data_file = datadir + 'WAVECAR.CO.wavecar'
     self.co = wavecar.WAVECAR(data_file)
예제 #2
0
 def setup(self):
     datadir = os.path.abspath(os.path.dirname(__file__)) + "/data/"
     data_file = datadir + 'Graphene.wavecar'
     self.gr = wavecar.WAVECAR(data_file)
     self.gr_poscar = poscar.POSCAR(datadir + 'POSCAR.Graphene')
예제 #3
0
 def setup(self):
     datadir = os.path.abspath(os.path.dirname(__file__)) + "/data/"
     data_file = datadir + 'Co.wavecar'
     self.co = wavecar.WAVECAR(data_file)
     self.co_poscar = poscar.POSCAR(datadir + 'Co.POSCAR')