OutputFileDefinition

class ase2sprkkr.output_files.output_files_definitions.OutputFileDefinition(name, members=[], **kwargs)[source]

This class describes the format of one value of a standard potential section

Class hierarchy

Inheritance diagram of ase2sprkkr.output_files.output_files_definitions.OutputFileDefinition

Constructor

__init__(name, members=[], **kwargs)

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.

force_order = True

The order of items in potential file is fixed

value_name_format = '<12'

The (print) format, how the name is written

child_class

standard child class

alias of OutputFileValueDefinition

custom_class = None

No custom members in the output files

delimiter = '\n'

options are delimited by newline in ouptut.

grammar_of_delimiter

section are delimited by newlines

Parameters:

name (str | None)

Return type:

ParserElement

result_class

alias of OutputFile

configuration_type_name = 'OUTPUT FILE'

Name of the container type in the runtime documentation

add_ignored(out)[source]

In the output files, do not ignore doublecrossed lines