Metadata-Version: 2.1
Name: shakenbreak
Version: 1.0.0
Summary: Package to generate and analyse distorted defect structures, in order to identify ground-state and metastable defect configurations.
Home-page: https://github.com/SMTG-UCL/ShakeNBreak
Author: Irea Mosquera-Lois, Seán R. Kavanagh
Author-email: irea.lois.20@ucl.ac.uk, sean.kavanagh.19@ucl.ac.uk
Maintainer: Irea Mosquera-Lois, Seán R. Kavanagh
Maintainer-email: irea.lois.20@ucl.ac.uk, sean.kavanagh.19@ucl.ac.uk
License: MIT
Keywords: chemistry pymatgen dft defects structure-searching distortions symmetry-breaking
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Natural Language :: English
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.5
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Provides-Extra: tests
Provides-Extra: docs
License-File: LICENSE
