Package to generate and analyse distorted defect structures, in order to identify ground-state and metastable defect configurations.
Project description
Python package to automate the process of defect structure searching.
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-23.1.25.tar.gz
(37.7 MB
view hashes)
Built Distribution
Close
Hashes for shakenbreak-23.1.25-py3-none-any.whl
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | cdb0c6653557ef9fd59c9aa69fb1dec13ad7619045c61466efaf006e737f4ba5 |
|
| MD5 | 77b6a8a86423cfa9f202d8f80b5e2ed0 |
|
| BLAKE2b-256 | 6cc640aa0e70f482e960e3cccea8b135b3d69f78157df7bcbe106f4949f5c4ca |
