iprpy-data
NIST Interatomic Potential Repository property calculation tools
NIST Interatomic Potential Repository property calculation tools
To install this package, run one of the following:
The iprPy framework is a collection of tools and resources supporting the design of scientific calculations that are open source with minimum barriers for usage, have transparent methodologies supporting knowledge transfer and education, produce results that are both human and machine readable, allow investigations into method and parameter sensitivity, and can be integrated into workflows
Summary
NIST Interatomic Potential Repository property calculation tools
Last Updated
Jan 14, 2025 at 21:42
License
OTHER
Total Downloads
115.0K
Supported Platforms
GitHub Repository
https://github.com/usnistgov/iprPyDocumentation
https://www.ctcms.nist.gov/potentials/iprPy/