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-23.2.8.tar.gz
(36.0 MB
view hashes)
Built Distribution
Close
Hashes for shakenbreak-23.2.8-py3-none-any.whl
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 424a9afd454252b0476cdc741271d2125ba482b0a2c32da4ce59579f618542f8 |
|
| MD5 | 6fd8243a0fefe7207b48d37e428ce00b |
|
| BLAKE2b-256 | 7640da9dc0090525aa79dc298af4cee19e815a0bab0cbe958944f40f2af328b5 |
