ComputePmeUtil Class Reference

#include <ComputePme.h>

Inheritance diagram for ComputePmeUtil:

Public Member Functions
	ComputePmeUtil ()
	~ComputePmeUtil ()

Static Public Member Functions
static void	select (void)

Static Public Attributes
static int	numGrids
static Bool	alchOn
static Bool	alchFepOn
static Bool	alchThermIntOn
static Bool	alchDecouple
static BigReal	alchElecLambdaStart
static Bool	lesOn
static int	lesFactor
static Bool	pairOn
static Bool	selfOn
static Bool	LJPMEOn

Detailed Description

Definition at line 24 of file ComputePme.h.

Constructor & Destructor Documentation

ComputePmeUtil()

ComputePmeUtil::ComputePmeUtil ( )

inline

Definition at line 28 of file ComputePme.h.

{};

~ComputePmeUtil()

ComputePmeUtil::~ComputePmeUtil ( )

inline

Definition at line 29 of file ComputePme.h.

{}

Member Function Documentation

select()

void ComputePmeUtil::select ( void  )

static

Definition at line 6448 of file ComputePme.C.

References alchDecouple, alchElecLambdaStart, alchFepOn, alchOn, alchThermIntOn, lesFactor, lesOn, LJPMEOn, numGrids, Node::Object(), pairOn, selfOn, Node::simParameters, and simParams.

Referenced by SimParameters::pme_select(), and SimParameters::scriptSet().

{
  if ( CkMyRank() ) return;
  
  SimParameters *simParams = Node::Object()->simParameters;

  alchOn = simParams->alchOn;
  alchFepOn = simParams->alchFepOn;
  alchThermIntOn = simParams->alchThermIntOn;
  alchDecouple = alchOn && simParams->alchDecouple;
  alchElecLambdaStart = alchOn ? simParams->alchElecLambdaStart : 0; 
  lesOn = simParams->lesOn;
  lesFactor = simParams->lesFactor;
  pairOn = simParams->pairInteractionOn;
  selfOn = simParams->pairInteractionSelf;

  LJPMEOn = (simParams->LJPMEOn && ! simParams->LJPMESerialOn);

  if ( alchOn ) {
    numGrids = 2;
    if (alchDecouple) numGrids += 2;
    if (alchElecLambdaStart || alchThermIntOn) numGrids++;
  } else if ( lesOn ) {
    numGrids = lesFactor;
  } else if ( pairOn ) {
    if ( selfOn ) pairOn = 0;  // make pairOn and selfOn exclusive
    numGrids = (selfOn ? 1 : 3);
  } else {
    numGrids = 1;
  }

  if ( LJPMEOn ) {
    numGrids *= 2;
  }

}

Member Data Documentation

alchDecouple

Bool ComputePmeUtil::alchDecouple

static

Definition at line 36 of file ComputePme.h.

Referenced by ComputePme::doWork(), select(), ComputePmeMgr::submitReductions(), and ComputePme::ungridForces().

alchElecLambdaStart

BigReal ComputePmeUtil::alchElecLambdaStart

static

Definition at line 37 of file ComputePme.h.

Referenced by select().

alchFepOn

Bool ComputePmeUtil::alchFepOn

static

Definition at line 34 of file ComputePme.h.

Referenced by select(), ComputePmeMgr::submitReductions(), and ComputePme::ungridForces().

alchOn

Bool ComputePmeUtil::alchOn

static

Definition at line 33 of file ComputePme.h.

Referenced by ComputePme::doWork(), select(), ComputePmeMgr::submitReductions(), and ComputePme::ungridForces().

alchThermIntOn

Bool ComputePmeUtil::alchThermIntOn

static

Definition at line 35 of file ComputePme.h.

Referenced by select(), and ComputePmeMgr::submitReductions().

lesFactor

int ComputePmeUtil::lesFactor

static

Definition at line 39 of file ComputePme.h.

Referenced by select(), ComputePmeMgr::submitReductions(), and ComputePme::ungridForces().

lesOn

Bool ComputePmeUtil::lesOn

static

Definition at line 38 of file ComputePme.h.

Referenced by ComputePme::doWork(), select(), ComputePmeMgr::submitReductions(), and ComputePme::ungridForces().

LJPMEOn

Bool ComputePmeUtil::LJPMEOn

static

Definition at line 43 of file ComputePme.h.

Referenced by ComputePme::doWork(), ComputePmeMgr::gridCalc2R(), select(), ComputePmeMgr::submitReductions(), and ComputePme::ungridForces().

numGrids

int ComputePmeUtil::numGrids

static

Definition at line 32 of file ComputePme.h.

Referenced by ComputePme::ComputePme(), ComputePmeMgr::copyPencils(), ComputePmeMgr::copyResults(), ComputePme::doWork(), ComputePmeMgr::gridCalc1(), ComputePmeMgr::gridCalc2(), ComputePmeMgr::gridCalc2R(), ComputePmeMgr::gridCalc3(), ComputePmeMgr::initialize(), ComputePmeMgr::initialize_computes(), ComputePmeMgr::procTrans(), ComputePmeMgr::procUntrans(), ComputePmeMgr::recvGrid(), ComputePmeMgr::recvRecipEvir(), select(), ComputePmeMgr::sendDataPart(), ComputePmeMgr::sendPencils(), ComputePmeMgr::sendPencilsPart(), ComputePmeMgr::sendTransSubset(), ComputePmeMgr::sendUngrid(), ComputePmeMgr::sendUngridSubset(), ComputePmeMgr::sendUntrans(), ComputePmeMgr::sendUntransSubset(), ComputePmeMgr::submitReductions(), and ComputePme::ungridForces().

pairOn

Bool ComputePmeUtil::pairOn

static

Definition at line 40 of file ComputePme.h.

Referenced by ComputePme::doWork(), select(), ComputePmeMgr::submitReductions(), and ComputePme::ungridForces().

selfOn

Bool ComputePmeUtil::selfOn

static

Definition at line 41 of file ComputePme.h.

Referenced by ComputePme::doWork(), select(), and ComputePme::ungridForces().

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The documentation for this class was generated from the following files:

• ComputePme.h
• ComputePme.C