Metadata-Version: 2.1
Name: libcasm-clexmonte
Version: 2.0a4
Summary: CASM cluster expansion Monte Carlo
Author-email: CASM developers <casm-developers@lists.engr.ucsb.edu>
License: LGPL2.1+
Project-URL: Homepage, https://prisms-center.github.io/CASMcode_docs/
Project-URL: Repository, https://github.com/prisms-center/CASMcode_clexmonte
Classifier: Development Status :: 3 - Alpha
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: C++
Classifier: License :: OSI Approved :: GNU Lesser General Public License v2 or later (LGPLv2+)
Classifier: Topic :: Scientific/Engineering
Requires-Python: >=3.9
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: libcasm-global>=2.0.5
Requires-Dist: libcasm-xtal>=2.0a12
Requires-Dist: libcasm-composition>=2.0a4
Requires-Dist: libcasm-clexulator>=2.0a7
Requires-Dist: libcasm-configuration>=2.0a7
Requires-Dist: libcasm-monte>=2.0a3
Requires-Dist: numpy

<img alt="Shows the CASM logo" src="https://raw.githubusercontent.com/prisms-center/CASMcode_global/main/python/doc/_static/logo.svg" width="600" />

#### libcasm-clexmonte

The libcasm-clexmonte is the CASM cluster expansion Monte Carlo package. This includes:

- Canonical and semi-grand canonical calculations
- Kinetic Monte Carlo calculations
- N-fold way calculations
- Composition and order parameter constrained Monte Carlo calculations
- SQS generation


#### Install

    pip install libcasm-clexmonte


#### Usage

See the [libcasm docs](https://prisms-center.github.io/CASMcode_pydocs/libcasm/overview/latest/).


#### About CASM

The libcasm-clexmonte package is part of the [CASM](https://prisms-center.github.io/CASMcode_docs/) open source software package, which is designed to perform first-principles statistical mechanical studies of multi-component crystalline solids.

CASM is developed by the Van der Ven group, originally at the University of Michigan and currently at the University of California Santa Barbara.

For more information, see the [CASM homepage](https://prisms-center.github.io/CASMcode_docs/).


#### License

GNU Lesser General Public License (LGPL). Please see the file LICENSE for details.

