Reference

Calculation classes

class aiida_symmetry_representation.calculations.filter_symmetries.FilterSymmetriesCalculation(**kwargs)

Calculation class to run the symmetry-repr filter_symmetries command.

Parameters:

Parser classes

class aiida_symmetry_representation.parsers.symmetries.SymmetriesParser(calc)

Parses a symmetries file to an output file in symmetry-representation HDF5 format.

Returns:symmetries – Output symmetries file.
Return type:aiida.orm.data.singlefile.SinglefileData