Uses of Class
ffx.potential.nonbonded.NeighborList
Package
Description
The Nonbonded package implements nonbonded molecular mechanics terms such as van der Waals and
Particle Mesh Ewald electrostastics.
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Uses of NeighborList in ffx.potential.nonbonded
Modifier and TypeMethodDescriptionVanDerWaals.getNeighborList()
Allow sharing the of the VanDerWaals NeighborList with ParticleMeshEwald.ModifierConstructorDescriptionParticleMeshEwald
(Atom[] atoms, int[] molecule, ForceField forceField, Crystal crystal, NeighborList neighborList, ForceField.ELEC_FORM elecForm, double ewaldCutoff, double gkCutoff, ParallelTeam parallelTeam) ParticleMeshEwald constructor.