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conda-forge.org : hiphive

hiPhive is a tool for efficiently extracting high-order force constants from atomistic simulations, most commonly density functional theory calculations. It has been implemented in the form of a Python library, which allows it to be readily integrated with many first-principles codes and analysis tools accessible in Python.

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purl: pkg:conda/hiphive
Keywords: Atomistic simulations, anharmonicity, atomic scale simulation, condensed matter physics, force constants, molecular dynamics, phonons, physics, python, statistical learning, thermal conductivity, thermal transport
License: MIT
Latest release: almost 4 years ago
First release: about 4 years ago
Stars: 24 on GitLab.com
Forks: 20 on GitLab.com
Total Commits: 1834
Committers: 13
Average commits per author: 141.077
Development Distribution Score (DDS): 0.529
More commit stats: commits.ecosyste.ms
See more repository details: repos.ecosyste.ms
Last synced: 30 days ago

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