Metadata-Version: 2.1
Name: Clinamen2
Version: 2023.11.1
Summary: a versatile implementation of the Cholesky CMA-ES
Author-email: Ralf Wanzenböck <ralf.wanzenboeck@tuwien.ac.at>
License: Apache License 2.0
Classifier: Development Status :: 5 - Production/Stable
Classifier: Operating System :: OS Independent
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Programming Language :: Python :: 3
Requires-Python: >=3.8
Description-Content-Type: text/markdown
License-File: LICENSE
License-File: NOTICE
License-File: AUTHORS
Requires-Dist: ase>=3.22
Requires-Dist: numpy>=1.20
Requires-Dist: scipy>=1.8
Requires-Dist: dask>=2022.9.0
Requires-Dist: distributed>=2022.9.0
Requires-Dist: jinja2>=3.1.2
Requires-Dist: dill>=0.3.5.1
Requires-Dist: tqdm>=4.63.0
Requires-Dist: packaging>=23.1
Provides-Extra: test
Requires-Dist: pytest; extra == "test"
Requires-Dist: pytest-datadir; extra == "test"
Provides-Extra: doc
Requires-Dist: sphinx; extra == "doc"
Requires-Dist: sphinx-autodoc-typehints; extra == "doc"
Requires-Dist: sphinx-rtd-theme; extra == "doc"

# Clinamen2

**Clinamen2** is a Python implementation of the CMA-ES algorithm designed with an emphasis on modularity and flexibility. It can be considered a spiritual successor of [Clinamen](https://gitlab.com/Marrigoni/clinamen/) written from scratch.

## General description

This repository contains releases of the software package described in the manuscript *Clinamen2: Functional-style evolutionary optimization in Python for atomistic structure searches* by Ralf Wanzenböck, Florian Buchner, Péter Kovács, Georg K. H. Madsen and Jesús Carrete at the Institute of Materials Chemistry of TU Wien.

## Quick start

Example use cases are provided as scripts in the `examples/` subdirectory. For details on how to set up and run the examples please see the [GitHub pages](https://madsen-s-research-group.github.io/clinamen2-public-releases/source/getting_started.html).
