ConfigurationValue

class ase2sprkkr.sprkkr.configuration.ConfigurationValue(definition, container=None, value=None)[source]

Value (option) in a SPRKKR configuration file.

Class hierarchy

Constructor

__init__(definition, container=None, value=None): ” :param definition: The value type of the option and its format (in potential and/or task file) :type definition: ValueDefinition :param container: The container, that owns the object :param value: The value of the option. :type value: mixed

_set_from_atoms(atoms, io_data)[source]

Some types can/should be updated by the data in atoms object (and/or io_data) during save.

Parameters