pair¶

Custom OpenMM pair potentials¶

This module contains implementations of commonly used pair potentials that are not available in OpenMM, such as the Gaussian and Yukawa potentials. Generally, the pair potentials are named after their LAMMPS pair_style counterparts, if available.

Functions

`coul_gauss`	Implements the smeared Coulomb pair potential.
`dpd`	Implements the conservative part of the dissipative particle dynamics (DPD) force.
`gauss`	Implements the generalized intermolecular Gaussian pair potential.
`lj_coul`	Implements the standard Lennard-Jones (LJ) and Coulomb pair potentials.
`ljts`	Implements the generalized Lennard-Jones truncated and shifted (LJTS) pair potential and its derivatives, such as the Mie and Weeks–Chandler–Andersen (WCA) potentials.
`solvation`	Implements the solvation pair potential.
`wca`	Implements the generalized Weeks–Chander–Andersen (WCA) pair potential.
`yukawa`	Implements the generalized intermolecular Yukawa pair potential.