Lib.rs

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#chemistry #pairwise-interaction #chemical-bond #pair-potential

interatomic

Library for calculating inter-particle interactions

Owned by Mikael Lund.

1 unstable release

new 0.1.0 Nov 26, 2024

#325 in Science

Apache-2.0 and GPL-3.0 licenses

65KB
1K SLoC

Interatomic

A library for calculating interatomic interactions such as van der Waals, electrostatics, and other two-body or many-body potentials.

lib.rs:

Interatomic

A library for calculating interatomic interactions such as van der Waals, electrostatics, and other two-body or many-body potentials.

Dependencies

~5.5MB
~111K SLoC