ComputePmeUtil Class Reference

#include <ComputePme.h>

Inheritance diagram for ComputePmeUtil:
ComputePme ComputePmeMgr

List of all members.

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

Detailed Description

Definition at line 24 of file ComputePme.h.


Constructor & Destructor Documentation

ComputePmeUtil::ComputePmeUtil (  )  [inline]

Definition at line 28 of file ComputePme.h.

00028 {};

ComputePmeUtil::~ComputePmeUtil (  )  [inline]

Definition at line 29 of file ComputePme.h.

00029 {}


Member Function Documentation

void ComputePmeUtil::select ( void   )  [static]

Definition at line 6358 of file ComputePme.C.

References SimParameters::alchDecouple, alchDecouple, SimParameters::alchElecLambdaStart, alchElecLambdaStart, SimParameters::alchFepOn, alchFepOn, SimParameters::alchOn, alchOn, SimParameters::alchThermIntOn, alchThermIntOn, SimParameters::lesFactor, lesFactor, SimParameters::lesOn, lesOn, Node::Object(), SimParameters::pairInteractionOn, SimParameters::pairInteractionSelf, pairOn, selfOn, and Node::simParameters.

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

06359 {
06360   if ( CkMyRank() ) return;
06361   
06362   SimParameters *simParams = Node::Object()->simParameters;
06363 
06364   alchOn = simParams->alchOn;
06365   alchFepOn = simParams->alchFepOn;
06366   alchThermIntOn = simParams->alchThermIntOn;
06367   alchDecouple = alchOn && simParams->alchDecouple;
06368   alchElecLambdaStart = alchOn ? simParams->alchElecLambdaStart : 0; 
06369   lesOn = simParams->lesOn;
06370   lesFactor = simParams->lesFactor;
06371   pairOn = simParams->pairInteractionOn;
06372   selfOn = simParams->pairInteractionSelf;
06373 
06374   if ( alchOn ) {
06375     numGrids = 2;
06376     if (alchDecouple) numGrids += 2;
06377     if (alchElecLambdaStart || alchThermIntOn) numGrids++;
06378   } else if ( lesOn ) {
06379     numGrids = lesFactor;
06380   } else if ( pairOn ) {
06381     if ( selfOn ) pairOn = 0;  // make pairOn and selfOn exclusive
06382     numGrids = (selfOn ? 1 : 3);
06383   } else {
06384     numGrids = 1;
06385   }
06386 
06387 }


Member Data Documentation

Definition at line 37 of file ComputePme.h.

Referenced by select().

Definition at line 34 of file ComputePme.h.

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

Definition at line 35 of file ComputePme.h.

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

Definition at line 39 of file ComputePme.h.

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

Definition at line 41 of file ComputePme.h.

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


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

Generated on 12 Aug 2020 for NAMD by  doxygen 1.6.1