py311-kliff

0.4.4_1

KIM-based Learning-Integrated Fitting Framework

KLIFF is an interatomic potential fitting package that can be used to fit physics-motivated (PM) potentials, as well as machine learning potentials such as the neural network (NN) models.

Origin: science/py-kliff

Category: science

Size: 2.04MiB

License: LGPL21

Maintainer: yuri@FreeBSD.org

Dependencies: 10 packages

Required by: 0 packages

Website: kliff.readthedocs.io/en/latest

$pkg install py311-kliff

Dependencies (10)

python311 py311-scipy py311-requests py311-pyyaml py311-pytorch py311-numpy py311-monty py311-loguru py311-kimpy py311-emcee

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