InputParametersDefinition

class ase2sprkkr.input_parameters.input_parameters_definitions.InputParametersDefinition(name, sections=None, executable='kkrscf', mpi=True, result_reader=None, **kwargs)

This class describes the format of a task file.

Class hierarchy

Constructor

__init__(name, sections=None, executable='kkrscf', mpi=True, result_reader=None, **kwargs)

Parameters

• others – For the meaning of the others parameters please see ConfigurationRootDefinition

• executable (str) – Executable to run

• mpi (bool) – Whether to run MPI version of the executable

• result_reader (common.process_output_reader.BaseProcessOutputReader) – Class, that runs the process and read the results. Default NONE means, that the class is determined from the TASK name (see InputParameters.result_reader)

child_class

Sections of the InputParameters are defined by InputSectionDefinition

alias of InputSectionDefinition

result_class

The parsing of a potential file results in an instance of InputParameters

alias of InputParameters

static custom_class(name, container)

The class factory for custom sections in the container

configuration_type_name = 'INPUT PARAMETERS'

Name of the container type in the runtime documentation

delimiter = '\n'

Sections are delimited by newline in the output

grammar_of_delimiter = <newline><printable>

Parameters

name (str) –

Return type

ParserElement

classmethod custom_value_grammar()

_generic_info()