TauSection
- class ase2sprkkr.input_parameters.definitions.sections.TauSection(name, members=[], alternative_names=[], info=None, description=None, is_optional=False, is_hidden=False, is_expert=False, has_hidden_members=False, name_in_grammar=None, force_order=None, write_alternative_name=False, name_regex=False, result_class=None, is_repeated=False)[source]
TAU Section of input parameters.
Class hierarchy
Constructor
- Parameters:
write_alternative_name (bool)
- __init__(name, members=[], alternative_names=[], info=None, description=None, is_optional=False, is_hidden=False, is_expert=False, has_hidden_members=False, name_in_grammar=None, force_order=None, write_alternative_name=False, name_regex=False, result_class=None, is_repeated=False)
Definition of container (e.g. section of an input file). For the rest of the parameters see the
RealItemDefinition
.- Parameters:
has_hidden_members (bool) – If true, this section is not intended for a direct editing
is_repeated (bool or string) – The section can be repeated. The name of the section appears only once on the beginning (this differs from ValueDefinition.is_repeated #TODO - merge the meaning of the swtich). If a non-empty string is given, the values are divided by the string.
force_order (bool) – If True, the items has to retain the order, if False, the items can be in the input file in any order.
write_alternative_name (bool)
- set_from_atoms(section, atoms, io_data)[source]
NKTAB[xD] values has to be set according to the type of the problem.
- _copy_args = {'alternative_names': 'alternative_names', 'description': '_description', 'force_order': 'force_order', 'has_hidden_members': 'has_hidden_members', 'info': '_info', 'is_expert': 'is_expert', 'is_hidden': 'is_hidden', 'is_optional': 'is_optional', 'is_repeated': 'is_repeated', 'members': '_members', 'name': 'name', 'name_in_grammar': 'name_in_grammar', 'name_regex': 'name_regex', 'result_class': 'result_class', 'write_alternative_name': 'write_alternative_name'}