py311-hiPhive
1.5High-order force constants for the masses
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.
Origin: science/py-hiPhive
Category: science
Size: 1.03MiB
License: MIT
Maintainer: yuri@FreeBSD.org
Dependencies: 11 packages
Required by: 0 packages
Website: hiphive.materialsmodeling.org
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pkg install py311-hiPhiveDependencies (11)
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