Package ffx.potential.nonbonded.implicit

Class HydrophobicPMFRegion

java.lang.Object

edu.rit.pj.ParallelConstruct

edu.rit.pj.ParallelRegion

ffx.potential.nonbonded.implicit.HydrophobicPMFRegion

public class HydrophobicPMFRegion
extends ParallelRegion

Initial implementation of a Hydrophobic PMF.

Since:

1.0

Constructor Summary

Constructors

Constructor	Description
HydrophobicPMFRegion(Atom[] atoms, double[] x, double[] y, double[] z, boolean[] use, double[][][] grad, int nt)

Method Summary

Modifier and Type	Method	Description
double	getEnergy()
void	run()	Execute parallel code.
void	setGradient(boolean gradient)
void	start()	Perform initialization actions before parallel execution begins.

Methods inherited from class edu.rit.pj.ParallelRegion

barrier, barrier, critical, critical, criticalNonexclusive, criticalNonexclusive, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, finish

Methods inherited from class edu.rit.pj.ParallelConstruct

getThreadCount, getThreadIndex, isExecutingInParallel, region, team

Methods inherited from class java.lang.Object

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

Constructor Details

HydrophobicPMFRegion

public HydrophobicPMFRegion(Atom[] atoms,
 double[] x,
 double[] y,
 double[] z,
 boolean[] use,
 double[][][] grad,
 int nt)

Method Details

getEnergy

public double getEnergy()

run

public void run()

Description copied from class: ParallelRegion

Execute parallel code. All threads of the parallel team call the run() method concurrently.

The run() method must be implemented in a subclass.

Specified by:

run in class ParallelRegion

setGradient

public void setGradient(boolean gradient)

start

public void start()

Description copied from class: ParallelRegion

Perform initialization actions before parallel execution begins. Only one thread calls the start() method.

The start() method may be overridden in a subclass. If not overridden, the start() method does nothing.

Overrides:

start in class ParallelRegion