CASM building blocks for Monte Carlo simulations
Project description
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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