Exemple #1
0
 def __str__(self):
     s = 'Wave functions: Plane wave expansion\n'
     s += '  Cutoff energy: %.3f eV\n' % (self.pd.ecut * units.Hartree)
     if self.dtype == float:
         s += ('  Number of coefficients: %d (reduced to %d)\n' %
               (self.pd.ngmax * 2 - 1, self.pd.ngmax))
     else:
         s += ('  Number of coefficients (min, max): %d, %d\n' %
               (self.pd.ngmin, self.pd.ngmax))
     if fftw.FFTPlan is fftw.NumpyFFTPlan:
         s += "  Using Numpy's FFT\n"
     else:
         s += '  Using FFTW library\n'
     return s + FDPWWaveFunctions.__str__(self)
Exemple #2
0
 def __str__(self):
     s = 'Wave functions: Uniform real-space grid\n'
     s += '  Kinetic energy operator: %s\n' % self.kin.description
     return s + FDPWWaveFunctions.__str__(self)