Package to generate and analyse distorted defect structures, in order to identify ground-state and metastable defect configurations.
Project description
Python package to automatise the process of defect structure searching. It employs chemically-guided bond distortions to locate ground-state and metastable structures of point defects in solid materials. Read the docs for more info.
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
shakenbreak-1.0.2.tar.gz
(14.8 MB
view hashes)
Built Distribution
Close
Hashes for shakenbreak-1.0.2-py3-none-any.whl
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | f12672a0ef4d486eef3934a04704c6d6e95a5f4bec54364b59a08f46b41f0339 |
|
| MD5 | b60658edb7aba6e35223e600588756a3 |
|
| BLAKE2b-256 | a5e34b4ffedbfbba6ab52549f51ca173842f2b36d71113e1f20d34c187a43f0b |
