ASE2SPRKKR

Contents

How to use the package
More about the package installation
Philosophy of the package (for developers)
Changelog
Authors
Hastily written ASE2SPRKKR slides
Examples

Links

ASE2SPRKKR homepage
ASE - atomic simulation environment
SPR-KKR
GitHub repository
PyPI package
SPR-KKR manual

Class documentation

ase2sprkkr
- promote_ase_atoms
- ase
  - build
  - io
  - pbc
  - register
  - symbols
  - visualise
- bindings
- common
- configuration
- examples
- gui
- input_parameters
- output_files
- outputs
- physics
- potentials
- sprkkr
- tools
- version

ASE2SPRKKR

ase2sprkkr
ase
register
View page source

register

Full name: ase2sprkkr.ase.register

Description

Functions

`calculator`()
`register`()
`sprkkr_reader`()
`sprkkr_writer`()

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© Copyright 2021, Matyáš Novák & Jano Minár.

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