Package ffx.potential.nonbonded.pme

Class ReduceRegion

java.lang.Object

edu.rit.pj.ParallelConstruct

edu.rit.pj.ParallelRegion

ffx.potential.nonbonded.pme.ReduceRegion

public class ReduceRegion
extends ParallelRegion

Parallel conversion of torques into forces, and then reduce them.

Since:

1.0

Author:

Michael J. Schnieders

Constructor Summary

Constructors

Constructor	Description
ReduceRegion(int threadCount, ForceField forceField)

Method Summary

Modifier and Type	Method	Description
void	executeWith(ParallelTeam parallelTeam)	Execute the ReduceRegion with the passed ParallelTeam.
void	init(boolean lambdaTerm, boolean gradient, Atom[] atoms, double[][][] coordinates, MultipoleType.MultipoleFrameDefinition[] frame, int[][] axisAtom, AtomicDoubleArray3D grad, AtomicDoubleArray3D torque, AtomicDoubleArray3D lambdaGrad, AtomicDoubleArray3D lambdaTorque)
void	run()	Execute parallel code.

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, start

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

ReduceRegion

public ReduceRegion(int threadCount,
 ForceField forceField)

Method Details

executeWith

public void executeWith(ParallelTeam parallelTeam)

Execute the ReduceRegion with the passed ParallelTeam.

Parameters:

parallelTeam - The ParallelTeam instance to execute with.

init

public void init(boolean lambdaTerm,
 boolean gradient,
 Atom[] atoms,
 double[][][] coordinates,
 MultipoleType.MultipoleFrameDefinition[] frame,
 int[][] axisAtom,
 AtomicDoubleArray3D grad,
 AtomicDoubleArray3D torque,
 AtomicDoubleArray3D lambdaGrad,
 AtomicDoubleArray3D lambdaTorque)

run

public void run()
         throws EnergyException

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

Throws:

EnergyException