sprkkr_atoms
Full name: ase2sprkkr.sprkkr.sprkkr_atoms
Module class hierarchy
![Inheritance diagram of ase2sprkkr.sprkkr.sprkkr_atoms.SPRKKRAtoms](../_images/inheritance-f30fe22ca5f6a5b3ee838e74faba2d2ae8835418.png)
Description
This file contains SPRKKRAtoms - an enhanced version of Atoms to be used with SPRKKR
Classes
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ASE Atoms object extended by the data necessary for SPR-KKR calculations |