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

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 LICENSE file available on GitHub.

Documentation

• Installation
  • Install from PyPI
  • Install from source
  • For contributors
• Reference
  • libcasm.composition

libcasm-composition is available on GitHub.