def read(self, label):
"""Read results from ABINIT's text-output file."""
# XXX I think we should redo the concept of 'restarting'.
# It makes sense to load a previous calculation as
#
# * static, calculator-independent results
# * an actual calculator capable of calculating
#
# Either of which is simpler than our current mechanism which
# implies both at the same time. Moreover, we don't need
# something like calc.read(label).
#
# What we need for these two purposes is
#
# * calc = MyCalculator.read(basefile)
# (or maybe it should return Atoms with calc attached)
# * results = read_results(basefile, format='abinit')
#
# where basefile determines the file tree.
FileIOCalculator.read(self, label)
self.atoms, self.parameters = io.read_ase_and_abinit_inputs(self.label)
self.results = io.read_results(self.label, self._output_filename())
def read_results(self):
with workdir(self.directory):
self.results = io.read_results(self.prefix)
def read_results(self):
self.results = io.read_results(self.label, self._output_filename())
def read_results(self):
self.results = io.read_results(self.label)
