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-22.10.14.tar.gz
(37.3 MB
view hashes)
Built Distribution
Close
Hashes for shakenbreak-22.10.14-py3-none-any.whl
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 5b6633b19c95035b995303616364882f0e06a713bbad74fa7bfe915e2c9835b0 |
|
| MD5 | a54f187376f8e3d3d38ec266b8f5f69e |
|
| BLAKE2b-256 | 823e21b9a31428bebe7e7eab93176a2001b0c8625be8335a365fa1cc2194034f |
