CustomPotentialSection

class ase2sprkkr.potentials.custom_potential_section.CustomPotentialSection(name, container=None)

Unknown sections of the potential file are mapped to a “section” of this type.

In fact, it is not a Section - a container - but just an Option, that holds a string value: a content of the section.

Class hierarchy

Constructor

__init__(name, container=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

_depends_on()

_set_from_atoms(atoms, io_data)

_update_atoms(atoms, io_data)

reset()