Class ParticleMeshEwald.LambdaFactorsESV

java.lang.Object

ffx.potential.nonbonded.ParticleMeshEwald.LambdaFactors

ffx.potential.nonbonded.ParticleMeshEwald.LambdaFactorsESV

Enclosing class:

ParticleMeshEwald

public class ParticleMeshEwald.LambdaFactorsESV
extends ParticleMeshEwald.LambdaFactors

Author:

Michael J. Schnieders
derived from:
TINKER code by Jay Ponder, Pengyu Ren and Tom Darden.

Field Summary

Fields inherited from class ParticleMeshEwald.LambdaFactors

d2lfAlpha, d2lfPowPerm, d2lfPowPol, dlfAlpha, dlfPowPerm, dlfPowPol, dLpdL, dLpdLi, dLpdLk, ik, lambdaProd, lfAlpha, lfPowPerm, lfPowPol

Constructor Summary

Constructors

Constructor	Description
LambdaFactorsESV()

Method Summary

Modifier and Type	Method	Description
void	setFactors(int i, int k, LambdaMode mode)	Overriden by the ESV version which updates with every softcore interaction.

Methods inherited from class ParticleMeshEwald.LambdaFactors

print, setFactors

Methods inherited from class Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Details

LambdaFactorsESV

public LambdaFactorsESV()

Method Details

setFactors

public void setFactors(int i,
 int k,
 LambdaMode mode)

Description copied from class: ParticleMeshEwald.LambdaFactors

Overriden by the ESV version which updates with every softcore interaction.

Overrides:

setFactors in class ParticleMeshEwald.LambdaFactors

Parameters:

i - Atom i index.

k - Atom k index.

mode - the LambdaMode