Package ffx.potential.nonbonded

Class VanDerWaals.LambdaFactors

java.lang.Object

ffx.potential.nonbonded.VanDerWaals.LambdaFactors

Direct Known Subclasses:

VanDerWaals.LambdaFactorsOST

Enclosing class:

VanDerWaals

public static class VanDerWaals.LambdaFactors
extends Object

The trick: The setFactors(i,k) method is called every time through the inner VdW loop, avoiding an "if (esv)" branch statement. A plain OST run will have an object of type LambdaFactorsOST instead, which contains an empty version of setFactors(i,k). The OST version sets new factors only on lambda updates, in setLambda().

Constructor Summary

Constructors

Constructor	Description
LambdaFactors()

Method Summary

Modifier and Type	Method	Description
void	setFactors()	Overriden by the OST version which updates only during setLambda().

Methods inherited from class java.lang.Object

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

Constructor Details

LambdaFactors

public LambdaFactors()

Method Details

setFactors

public void setFactors()

Overriden by the OST version which updates only during setLambda().