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 6332 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().

06333 {
06334   if ( CkMyRank() ) return;
06335   
06336   SimParameters *simParams = Node::Object()->simParameters;
06337 
06338   alchOn = simParams->alchOn;
06339   alchFepOn = simParams->alchFepOn;
06340   alchThermIntOn = simParams->alchThermIntOn;
06341   alchDecouple = alchOn && simParams->alchDecouple;
06342   alchElecLambdaStart = alchOn ? simParams->alchElecLambdaStart : 0; 
06343   lesOn = simParams->lesOn;
06344   lesFactor = simParams->lesFactor;
06345   pairOn = simParams->pairInteractionOn;
06346   selfOn = simParams->pairInteractionSelf;
06347 
06348   if ( alchOn ) {
06349     numGrids = 2;
06350     if (alchDecouple) numGrids += 2;
06351     if (alchElecLambdaStart || alchThermIntOn) numGrids++;
06352   } else if ( lesOn ) {
06353     numGrids = lesFactor;
06354   } else if ( pairOn ) {
06355     if ( selfOn ) pairOn = 0;  // make pairOn and selfOn exclusive
06356     numGrids = (selfOn ? 1 : 3);
06357   } else {
06358     numGrids = 1;
06359   }
06360 
06361 }


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 11 Nov 2019 for NAMD by  doxygen 1.6.1