potentials

Full name: ase2sprkkr.potentials

Description

sprkkr.potential - SPR-KKR potential description, input and output routines

Modules

custom_potential_section

Custom potential sections are the parts of Potential, that whose content is not parsed.

potential_sections

A potential file for SPRKKR is divided to sections.

potential_definitions

This file contains the classes for definitions of Potentials: the list of sections and their allowed (or standard) options and their value formats.

potentials

Potential is object that holds data form SPR-KKR potential file

definitions

sprkkr.potential.definitions - definition of SPR-KKR potential format.

test