Uses of Package
ffx.potential.nonbonded.pme

Packages that use ffx.potential.nonbonded.pme

Package	Description
ffx.potential.nonbonded	The Nonbonded package implements nonbonded molecular mechanics terms such as van der Waals and Particle Mesh Ewald electrostastics.
ffx.potential.nonbonded.implicit
ffx.potential.nonbonded.pme

Classes in ffx.potential.nonbonded.pme used by ffx.potential.nonbonded

Class	Description
AlchemicalParameters
LambdaMode
Polarization
SCFAlgorithm	Describes available SCF algorithms, and whether they are supported by the FFX and/or CUDA implementations.

Classes in ffx.potential.nonbonded.pme used by ffx.potential.nonbonded.implicit

Class	Description
Polarization

Classes in ffx.potential.nonbonded.pme used by ffx.potential.nonbonded.pme

Class	Description
AlchemicalParameters
AlchemicalParameters.AlchemicalMode	For OST mode, we are calculating analytic dU/dL, d2U/dL2 and d2U/dL/dX for the permanent and polarization energy terms.
EwaldParameters	Mutable Particle Mesh Ewald constants.
LambdaMode
PCGSolver	Parallel pre-conditioned conjugate gradient solver for the self-consistent field.
PermanentFieldRegion	Parallel computation of the permanent field.
PMETimings
Polarization
RealSpaceEnergyRegion	Parallel evaluation of the PME real space energy and gradient.
RealSpaceNeighborParameters
ScaleParameters	Scale factors and masking rules for electrostatics.
SCFAlgorithm	Describes available SCF algorithms, and whether they are supported by the FFX and/or CUDA implementations.
SCFPredictor