CASM building blocks for Monte Carlo simulations

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Shows the CASM logo

libcasm-monte

The libcasm-monte package provides useful building blocks for Monte Carlo simulations. This includes:

  • Sampling classes and functions
  • Equilibration, convergence checking, and statistics calculation
  • Generic results IO
  • Supercell index conversions
  • Generic event definitions, construction, and selection

Install

pip install libcasm-monte

Usage

See the libcasm docs.

About CASM

The libcasm-monte 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.

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