def make_default(cls): """Used to make the default value of the outputs class for use when no output is specified. Needed since this is a fairly complicated default, with many mutable objects, and the default has to be generated by a function that does not use any mutable objects as arguments. """ return eoutputs.OutputList( "i-pi", [ eoutputs.PropertyOutput( filename="md", stride=10, outlist=[ "time", "step", "conserved", "temperature", "potential", "kinetic_cv", ], ), eoutputs.TrajectoryOutput( filename="pos", stride=100, what="positions", format="xyz"), eoutputs.CheckpointOutput( filename="checkpoint", stride=1000, overwrite=True), ], )
def fetch(self): """Returns a list of the output objects included in this dynamic container. Returns: A list of tuples, with each tuple being of the form ('type', 'object') where 'type' is the type of output object and 'object' is a particular object of that type. """ super(InputOutputs, self).fetch() outlist = eoutputs.OutputList(self.prefix.fetch(), [p.fetch() for (n, p) in self.extra]) return outlist