ase2sprkkr

Full name: ase2sprkkr

Description

ase2sprkkr - ASE interface to SPR-KKR electron structure calculation.

This root package import a few most used objects to provide shortcuts to them.

Modules

ase2sprkkr.ase
ase2sprkkr.bindings	This package contains wrapper routines for other physics codes and libraries.
ase2sprkkr.common	sprkkr.common - common modules used in ase2sprkkr package
ase2sprkkr.input_parameters	ase2sprkkr.input_parameters - SPR-KKR tasks' input files definitions.
ase2sprkkr.outputs	This package contains the parsers of SPR-KKR output files.
ase2sprkkr.physics	This module should contain the general stuff related to physics, lattice geometry and so on.
ase2sprkkr.potentials	sprkkr.potential - SPR-KKR potential description, input and output routines
ase2sprkkr.sprkkr	sprkkr.sprkkr - calculator for SPR-KKR and data structures used for describing the SPR-KKR computations
ase2sprkkr.tools	Tools (scripts) for processing SPR-KKR results.
ase2sprkkr.version	Module version