예제 #1
0
 def _write(self, writer, mode):
     GPAW._write(self, writer, mode)
     if self.tddft_initialized:
         w = writer.child('tddft')
         w.write(time=self.time,
                 niter=self.niter,
                 kick_strength=self.kick_strength,
                 propagator=self.propagator.todict())
         self.td_hamiltonian.write(w.child('td_hamiltonian'))
예제 #2
0
 def _write(self, writer, mode):
     GPAW._write(self, writer, mode)
     writer.child('tddft').write(time=self.time,
                                 niter=self.niter,
                                 kick_strength=self.kick_strength)