CASM composition axes, conversions, and calculations

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  • License: GNU Lesser General Public License v2 or later (LGPLv2+) (LGPL2.1+)
  • Author: CASM developers
  • Requires: Python >=3.9
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Project description

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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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  • License: GNU Lesser General Public License v2 or later (LGPLv2+) (LGPL2.1+)
  • Author: CASM developers
  • Requires: Python >=3.9
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2.0a4 pre-release

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