Пример #1
0
 def readXV(self, fn, onlyLatticeSym=False):
     # Get geometry
     self.pbc, self.snr, self.anr, self.xyz = SIO.ReadXVFile(fn)
     self.pbc, self.snr, self.anr, self.xyz = N.array(self.pbc), N.array(
         self.snr), N.array(self.anr), N.array(self.xyz)
     self.NN = len(self.anr)
     self.findSymmetry(onlyLatticeSym)
Пример #2
0
 def readXV(self, fn):
     "Read XV file"
     self.pbc, self.snr, self.anr, self.xyz = SIO.ReadXVFile(fn)
     self.natoms = len(self.xyz)