Metadata-Version: 2.1
Name: InterOptimus
Version: 0.0.1
Summary: High througput simulation making crystalline interfaces
Home-page: https://github.com/HouGroup/InterOptimus/
Author: Yaoshu Xie
Author-email: jasonxie@sz.tsinghua.edu.cn
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.10
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: pymatgen
Requires-Dist: interfacemaster
Requires-Dist: Dscribe
Requires-Dist: scikit-optimize
Requires-Dist: matplotlib
Requires-Dist: atomate
Requires-Dist: fireworks
Requires-Dist: adjustText
Requires-Dist: ipywidgets
Requires-Dist: tqdm
Requires-Dist: mlipdockers

An efficient python package for Interface Simulation.
1. Visualizing lattice matching information by polar projection figure;
2. Symmetry analysis to screen out identical matching and termination conditions;
3. Structure pre-optimization by MLIP-predicted interface energy.

Install
`pip install .`
