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

interatomic

Library for calculating inter-particle interactions

3 unstable releases

0.2.1 Jan 6, 2025
0.2.0 Jan 6, 2025
0.1.0 Nov 26, 2024

#319 in Science

Apache-2.0 and GPL-3.0 licenses

67KB
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

~6MB
~112K SLoC