Esempio n. 1
0
def readMOs(siz):
  fil = showFileDialog()
  f = open(fil)
  lines = f.readlines()
  f.close()

  mos = MolecularOrbitals(siz)

  m = n = 0
  for line in lines:
     dmval = string.atof(line.strip())
     mos.setMatrixAt(m, n, dmval)
     n += 1
     if (n == siz):
        n = 0
        m += 1

  return mos