def _open(self, filename, mode):
import ase.io.ulm as ulm
if mode not in 'aw':
raise ValueError('mode must be "w" or "a".')
if self.master:
self.backend = ulm.open(filename, mode, tag='ASE-Trajectory')
if len(self.backend) > 0 and mode == 'a':
atoms = Trajectory(filename)[0]
self.header_data = get_header_data(atoms)
else:
self.backend = ulm.DummyWriter()
def _open(self, filename, mode):
import ase.io.ulm as ulm
if mode not in 'aw':
raise ValueError('mode must be "w" or "a".')
if self.master:
self.backend = ulm.open(filename, mode, tag='ASE-Trajectory')
if len(self.backend) > 0:
r = ulm.open(filename)
self.numbers = r.numbers
self.pbc = r.pbc
else:
self.backend = ulm.DummyWriter()
def Writer(filename, world, tag='GPAW'):
import ase.io.ulm as ulm
if world.rank == 0:
return ulm.Writer(filename, tag=tag)
return ulm.DummyWriter()