dreid_kernel/potentials/
mod.rs

1//! Molecular mechanics potential energy functions.
2//!
3//! This module organizes the physical interaction kernels used in the DREIDING force field.
4//! These kernels are pure functions that compute potential energy and force derivatives
5//! based on geometric parameters (distances, angles) and force field constants.
6//!
7//! # Categories
8//!
9//! - [`bonded`]: Intramolecular interactions (covalent bonds, angles, dihedrals).
10//! - [`nonbonded`]: Intermolecular and non-bonded intramolecular interactions (VDW, Electrostatics).
11
12pub mod bonded;
13pub mod nonbonded;