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

Inheritance diagram of ase2sprkkr.input_parameters.definitions.sections.TauSection

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'}