libcasm-composition

CASM composition axes, conversions, and calculations

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Project description

libcasm-composition

The libcasm-composition package is the CASM composition module. This includes:

Methods for constructing standard composition axes
Methods for converting between mol and parametric composition
Methods for calculating the composition of configurations, including sublattice compositions

Install

pip install libcasm-composition

Usage

See the libcasm docs.

About CASM

The libcasm-composition package is part of the CASM 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.

License

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

Project details

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Release history Release notifications | RSS feed

This version

2.0a2 pre-release

Mar 13, 2024

2.0a1 pre-release

Aug 17, 2023

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