potential_sections

Full name: ase2sprkkr.potentials.potential_sections

Module class hierarchy

Inheritance diagram of ase2sprkkr.potentials.potential_sections.ASEArraySection, ase2sprkkr.potentials.potential_sections.PotentialSection, ase2sprkkr.potentials.potential_sections.PotentialSectionTrait, ase2sprkkr.potentials.potential_sections.RepeatedPotentialSection, ase2sprkkr.potentials.potential_sections.UniqueListSection

Description

A potential file for SPRKKR is divided to sections. In this module, there are a generic classes for these sections.

Classes

ASEArraySection(definition[, container])

A section, that get and set the given ASE array (see ASE documentation of the Atoms class), e.g. magnetization direction.

PotentialSection(definition[, container])

A base class for all potential sections

PotentialSectionTrait()

A trait class for a section in a potential

RepeatedPotentialSection(definition[, container])

A base class for all repeated sections in potentials

UniqueListSection(definition[, container])

The section, whose data is list of something, e.g. of meshes, reference systems etc.