Package ffx.potential.nonbonded.pme

Class RealSpaceNeighborParameters

java.lang.Object

ffx.potential.nonbonded.pme.RealSpaceNeighborParameters

public class RealSpaceNeighborParameters
extends Object

Field Summary

Fields

Modifier and Type	Field	Description
final int	numThreads
int[][]	realSpaceCounts	Number of neighboring atoms within the real space cutoff.
int[][][]	realSpaceLists	Neighbor lists, without atoms beyond the real space cutoff.
Range[]	realSpaceRanges	Optimal pairwise ranges.
IntegerSchedule	realSpaceSchedule	Pairwise schedule for load balancing.

Constructor Summary

Constructors

Constructor	Description
RealSpaceNeighborParameters(int maxThreads)

Method Summary

Modifier and Type	Method	Description
void	allocate(int nAtoms, int nSymm)

Methods inherited from class java.lang.Object

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

Field Details

numThreads

public final int numThreads

realSpaceLists

public int[][][] realSpaceLists

Neighbor lists, without atoms beyond the real space cutoff. [nSymm][nAtoms][nIncludedNeighbors]

realSpaceCounts

public int[][] realSpaceCounts

Number of neighboring atoms within the real space cutoff. [nSymm][nAtoms]

realSpaceRanges

public Range[] realSpaceRanges

Optimal pairwise ranges.

realSpaceSchedule

public IntegerSchedule realSpaceSchedule

Pairwise schedule for load balancing.

Constructor Details

RealSpaceNeighborParameters

public RealSpaceNeighborParameters(int maxThreads)

Method Details

allocate

public void allocate(int nAtoms,
 int nSymm)