Module potentials 

Molecular mechanics potential energy functions.

This module organizes the physical interaction kernels used in the DREIDING force field. These kernels are pure functions that compute potential energy and force derivatives based on geometric parameters (distances, angles) and force field constants.

Categories

• bonded: Intramolecular interactions (covalent bonds, angles, dihedrals).
• nonbonded: Intermolecular and non-bonded intramolecular interactions (VDW, Electrostatics).

Modules

bonded

Bonded (intramolecular) interaction potentials.

nonbonded

Non-bonded (intermolecular) interaction potentials.