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Public Member Functions | Static Public Member Functions | Static Public Attributes | List of all members
ComputePmeUtil Class Reference

#include <ComputePme.h>

Inheritance diagram for ComputePmeUtil:
ComputePme ComputePmeMgr

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.

28 {};
ComputePmeUtil::~ComputePmeUtil ( )
inline

Definition at line 29 of file ComputePme.h.

29 {}

Member Function Documentation

void ComputePmeUtil::select ( void  )
static

Definition at line 6358 of file ComputePme.C.

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

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

6359 {
6360  if ( CkMyRank() ) return;
6361 
6363 
6364  alchOn = simParams->alchOn;
6365  alchFepOn = simParams->alchFepOn;
6366  alchThermIntOn = simParams->alchThermIntOn;
6367  alchDecouple = alchOn && simParams->alchDecouple;
6368  alchElecLambdaStart = alchOn ? simParams->alchElecLambdaStart : 0;
6369  lesOn = simParams->lesOn;
6370  lesFactor = simParams->lesFactor;
6371  pairOn = simParams->pairInteractionOn;
6372  selfOn = simParams->pairInteractionSelf;
6373 
6374  if ( alchOn ) {
6375  numGrids = 2;
6376  if (alchDecouple) numGrids += 2;
6378  } else if ( lesOn ) {
6379  numGrids = lesFactor;
6380  } else if ( pairOn ) {
6381  if ( selfOn ) pairOn = 0; // make pairOn and selfOn exclusive
6382  numGrids = (selfOn ? 1 : 3);
6383  } else {
6384  numGrids = 1;
6385  }
6386 
6387 }
static Node * Object()
Definition: Node.h:86
BigReal alchElecLambdaStart
SimParameters * simParameters
Definition: Node.h:178
static int numGrids
Definition: ComputePme.h:32
static Bool alchOn
Definition: ComputePme.h:33
Bool pairInteractionOn
static BigReal alchElecLambdaStart
Definition: ComputePme.h:37
static Bool alchDecouple
Definition: ComputePme.h:36
static int lesFactor
Definition: ComputePme.h:39
#define simParams
Definition: Output.C:127
static Bool pairOn
Definition: ComputePme.h:40
static Bool lesOn
Definition: ComputePme.h:38
static Bool selfOn
Definition: ComputePme.h:41
Bool pairInteractionSelf
static Bool alchFepOn
Definition: ComputePme.h:34
static Bool alchThermIntOn
Definition: ComputePme.h:35

Member Data Documentation

Bool ComputePmeUtil::alchDecouple
static
BigReal ComputePmeUtil::alchElecLambdaStart
static

Definition at line 37 of file ComputePme.h.

Referenced by select().

Bool ComputePmeUtil::alchFepOn
static

Definition at line 34 of file ComputePme.h.

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

Bool ComputePmeUtil::alchOn
static
Bool ComputePmeUtil::alchThermIntOn
static

Definition at line 35 of file ComputePme.h.

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

int ComputePmeUtil::lesFactor
static

Definition at line 39 of file ComputePme.h.

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

Bool ComputePmeUtil::lesOn
static
int ComputePmeUtil::numGrids
static
Bool ComputePmeUtil::pairOn
static
Bool ComputePmeUtil::selfOn
static

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: