potential_definitions

Full name: ase2sprkkr.potentials.potential_definitions

Module class hierarchy

Description

This file contains the classes for definitions of Potentials: the list of sections and their allowed (or standard) options and their value formats. InputParameterss and potentials have a simlilar structure, so they share common functionalities from sprkkr.common.configuration_definitions

Classes

ASEArraySectionDefinition(*args[, mandatory])	A definition of a section, that contains an ASE datas (Atoms.setArray)
PotSectionDefinition(*args[, mandatory])	This class describes the format of one value of a standard potential section
PotValueDefinition(*args[, required])	Definition of a configuration option in a potential
PotentialDefinition(name[, members])	This class describes the format of a potential file
Separator([name])	A special (hidden) value, that appears in a potential header section.