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

interatomic

Library for calculating inter-particle interactions

3 unstable releases

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

#340 in Science

Download history 65/week @ 2024-11-20 59/week @ 2024-11-27 4/week @ 2024-12-04 6/week @ 2024-12-11 202/week @ 2025-01-01

212 downloads per month

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
~111K SLoC