Uses of Interface
ffx.potential.nonbonded.MaskingInterface
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 MaskingInterface in ffx.potential.nonbonded
Modifier and TypeClassDescriptionclass
The Van der Waals class computes Van der Waals interaction in parallel using aNeighborList
for anyCrystal
.class
The Van der Waals class computes Van der Waals interaction in parallel using aNeighborList
for P1 (no symmetry)Crystal
systems.ModifierConstructorDescriptionNeighborList
(MaskingInterface maskingRules, Crystal crystal, Atom[] atoms, double cutoff, double buffer, ParallelTeam parallelTeam) Constructor for the NeighborList class. -
Uses of MaskingInterface in ffx.potential.nonbonded.pme
Modifier and TypeClassDescriptionclass
Parallel computation of the permanent field.class
Parallel evaluation of the PME real space energy and gradient.