setup
Full name: ase2sprkkr.asr.setup
Description
Modules
Generate chemically similar atomic structures. |
|
Generate defective atomic structures. |
|
Module for generating atomic structures with displaced atoms. |
|
Generate magnetic atomic structures. |
|
Generate database with test systems. |
|
Generate parameter file 'params.json'. |
|
Generate folder with different parameters. |
|
Generate strained atomic structures. |
|
Generate symmetrized atomic structure. |