Flags Class Reference

#include <PatchTypes.h>

Public Member Functions
	Flags ()
void	copyIntFlags (const Flags &flags)
Flags &	operator= (const Flags &flags)

Public Attributes
int	step
int	sequence
int	doEnergy
int	doVirial
int	doNonbonded
int	doFullElectrostatics
int	doMolly
int	doMinimize
int	doLoweAndersen
int	doGBIS
int	doLCPO
int	submitLoadStats
int	maxForceUsed
int	maxForceMerged
int	usePairlists
int	savePairlists
BigReal	pairlistTolerance
BigReal	maxAtomMovement
BigReal	maxGroupRadius
Lattice	lattice

Detailed Description

Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved.

Definition at line 13 of file PatchTypes.h.

Constructor & Destructor Documentation

Flags()

Flags::Flags ( )

inline

Definition at line 47 of file PatchTypes.h.

          :
    step(0),
    sequence(0),
    doEnergy(0),
    doVirial(0),
    doNonbonded(0),
    doFullElectrostatics(0),
    doMolly(0),
    doMinimize(0),
    doLoweAndersen(0),
    doGBIS(0),
    doLCPO(0),
    submitLoadStats(0),
    maxForceUsed(0),
    maxForceMerged(0),
#if defined(NAMD_NVTX_ENABLED) || defined(NAMD_CMK_TRACE_ENABLED) || defined(NAMD_ROCTX_ENABLED)
    event_on(0),
#endif
    usePairlists(0),
    savePairlists(0),
    pairlistTolerance(0),
    maxAtomMovement(0),
    maxGroupRadius(0)
  { }

Member Function Documentation

copyIntFlags()

void Flags::copyIntFlags ( const Flags &  flags )

inline

Definition at line 72 of file PatchTypes.h.

References doEnergy, doFullElectrostatics, doGBIS, doLCPO, doLoweAndersen, doMinimize, doMolly, doNonbonded, doVirial, lattice, maxForceMerged, maxForceUsed, sequence, step, and submitLoadStats.

                                        {
    step = flags.step;
    sequence = flags.sequence;
    doEnergy = flags.doEnergy;
    doVirial = flags.doVirial;
    doNonbonded = flags.doNonbonded;
    doFullElectrostatics = flags.doFullElectrostatics;
    doMolly = flags.doMolly;
    doMinimize = flags.doMinimize;
    doLoweAndersen = flags.doLoweAndersen;
    doGBIS = flags.doGBIS;
    doLCPO = flags.doLCPO;
    submitLoadStats = flags.submitLoadStats;
    maxForceUsed = flags.maxForceUsed;
    maxForceMerged = flags.maxForceMerged;
    lattice = flags.lattice;
#if defined(NAMD_NVTX_ENABLED) || defined(NAMD_CMK_TRACE_ENABLED) || defined(NAMD_ROCTX_ENABLED)
    event_on = flags.event_on;
#endif
  //  usePairlists = flags.usePairlists;
  //  savePairlists = flags.savePairlists;
  }

operator=()

Flags& Flags::operator= ( const Flags &  flags )

inline

Definition at line 95 of file PatchTypes.h.

    {
      memcpy(this, &flags, sizeof(Flags));
      return *this;
    }

Member Data Documentation

doEnergy

int Flags::doEnergy

Definition at line 20 of file PatchTypes.h.

Referenced by ExclElem::computeForce(), copyIntFlags(), ComputeNonbondedPair::doForce(), ComputeNonbondedSelf::doForce(), CudaComputeNonbonded::doWork(), Sequencer::integrate(), Sequencer::integrate_SOA(), and Sequencer::minimize().

doFullElectrostatics

int Flags::doFullElectrostatics

Definition at line 23 of file PatchTypes.h.

Referenced by ProxyPatch::boxClosed(), ExclElem::computeForce(), copyIntFlags(), ComputeNonbondedPair::doForce(), ComputeNonbondedSelf::doForce(), CudaComputeNonbonded::doWork(), Patch::forceBoxClosed(), HomePatch::gbisP3Ready(), Sequencer::integrate(), Sequencer::integrate_SOA(), Sequencer::minimize(), Sequencer::multigratorPressure(), ComputePme::noWork(), Patch::positionsReady(), Sequencer::runComputeObjects(), and Sequencer::runComputeObjects_SOA().

doGBIS

int Flags::doGBIS

Definition at line 29 of file PatchTypes.h.

Referenced by HomePatch::boxClosed(), copyIntFlags(), ComputeNonbondedPair::doForce(), ComputeNonbondedSelf::doForce(), ComputePatch::doWork(), Sequencer::integrate(), Sequencer::integrate_SOA(), Sequencer::minimize(), ComputeNonbondedSelf::noWork(), Patch::positionsReady(), HomePatch::positionsReady(), HomePatch::positionsReady_SOA(), ProxyPatch::receiveAll(), and Sequencer::runComputeObjects().

doLCPO

int Flags::doLCPO

Definition at line 30 of file PatchTypes.h.

Referenced by copyIntFlags(), Sequencer::integrate(), Sequencer::integrate_SOA(), Sequencer::minimize(), Patch::positionsReady(), HomePatch::positionsReady(), HomePatch::positionsReady_SOA(), and ProxyPatch::receiveAll().

doLoweAndersen

int Flags::doLoweAndersen

Definition at line 27 of file PatchTypes.h.

Referenced by copyIntFlags(), ComputeNonbondedPair::doForce(), ComputeNonbondedSelf::doForce(), Sequencer::integrate(), Sequencer::integrate_SOA(), Sequencer::minimize(), ComputeNonbondedSelf::noWork(), Patch::positionsReady(), HomePatch::positionsReady(), HomePatch::positionsReady_SOA(), and Sequencer::runComputeObjects().

doMinimize

int Flags::doMinimize

Definition at line 25 of file PatchTypes.h.

Referenced by copyIntFlags(), CudaComputeNonbonded::doWork(), and Sequencer::minimize().

doMolly

int Flags::doMolly

Definition at line 24 of file PatchTypes.h.

Referenced by copyIntFlags(), ComputeNonbondedSelf::doForce(), ComputePme::doWork(), ComputeHomeTuples< TholeElem, Thole, TholeValue >::doWork(), Sequencer::integrate(), Sequencer::integrate_SOA(), Sequencer::minimize(), ComputeNonbondedSelf::noWork(), Patch::positionsReady(), HomePatch::positionsReady(), HomePatch::positionsReady_SOA(), and Sequencer::runComputeObjects().

doNonbonded

int Flags::doNonbonded

Definition at line 22 of file PatchTypes.h.

Referenced by ProxyPatch::boxClosed(), HomePatch::boxClosed(), ExclElem::computeForce(), copyIntFlags(), HomePatch::doGroupSizeCheck(), HomePatch::doGroupSizeCheck_SOA(), CudaComputeNonbonded::doWork(), Sequencer::integrate(), Sequencer::integrate_SOA(), Sequencer::minimize(), ComputeNonbondedSelf::noWork(), HomePatch::receiveResult(), Sequencer::runComputeObjects(), and Sequencer::runComputeObjects_SOA().

doVirial

int Flags::doVirial

Definition at line 21 of file PatchTypes.h.

Referenced by copyIntFlags(), CudaComputeNonbonded::doWork(), Patch::forceBoxClosed(), Sequencer::integrate(), Sequencer::integrate_SOA(), Sequencer::submitHalfstep(), and Sequencer::submitReductions().

lattice

Lattice Flags::lattice

Definition at line 45 of file PatchTypes.h.

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

maxAtomMovement

BigReal Flags::maxAtomMovement

Definition at line 42 of file PatchTypes.h.

Referenced by ComputeNonbondedPair::doForce(), ComputeNonbondedSelf::doForce(), and HomePatch::doPairlistCheck().

maxForceMerged

int Flags::maxForceMerged

Definition at line 33 of file PatchTypes.h.

Referenced by copyIntFlags(), ComputeNonbondedSelf::doForce(), Sequencer::integrate(), Sequencer::integrate_SOA(), and Sequencer::minimize().

maxForceUsed

int Flags::maxForceUsed

Definition at line 32 of file PatchTypes.h.

Referenced by copyIntFlags(), Sequencer::integrate(), Sequencer::integrate_SOA(), Sequencer::minimize(), Sequencer::submitCollections(), and Sequencer::submitCollections_SOA().

maxGroupRadius

BigReal Flags::maxGroupRadius

Definition at line 43 of file PatchTypes.h.

Referenced by ComputeNonbondedPair::doForce(), ComputeNonbondedSelf::doForce(), HomePatch::doGroupSizeCheck(), and HomePatch::doGroupSizeCheck_SOA().

pairlistTolerance

BigReal Flags::pairlistTolerance

Definition at line 41 of file PatchTypes.h.

Referenced by ComputeNonbondedPair::doForce(), ComputeNonbondedSelf::doForce(), and HomePatch::doPairlistCheck().

savePairlists

int Flags::savePairlists

Definition at line 40 of file PatchTypes.h.

Referenced by ComputeNonbondedSelf::doForce(), HomePatch::doPairlistCheck(), CudaComputeNonbonded::launchWork(), Sequencer::runComputeObjects(), and Sequencer::runComputeObjects_SOA().

sequence

int Flags::sequence

Definition at line 18 of file PatchTypes.h.

Referenced by ProxyPatch::boxClosed(), copyIntFlags(), ComputeLCPO::doForce(), HomePatch::gbisComputeAfterP1(), HomePatch::gbisComputeAfterP2(), Patch::gbisP2Ready(), HomePatch::gbisP2Ready(), Patch::gbisP3Ready(), HomePatch::gbisP3Ready(), Patch::positionsReady(), HomePatch::positionsReady(), HomePatch::positionsReady_SOA(), Sequencer::runComputeObjects(), Sequencer::runComputeObjects_SOA(), and Sequencer::submitMinimizeReductions().

step

int Flags::step

Definition at line 16 of file PatchTypes.h.

Referenced by HomePatch::buildRattleList(), HomePatch::buildRattleList_SOA(), AngleElem::computeForce(), CrosstermElem::computeForce(), ImproperElem::computeForce(), DihedralElem::computeForce(), TholeElem::computeForce(), AnisoElem::computeForce(), BondElem::computeForce(), ExclElem::computeForce(), copyIntFlags(), ComputeGridForce::do_calc(), ComputeEField::doForce(), ComputeStir::doForce(), ComputeNonbondedPair::doForce(), ComputeGridForce::doForce(), ComputeNonbondedSelf::doForce(), ComputeRestraints::doForce(), Sequencer::integrate(), Sequencer::integrate_SOA(), CudaComputeNonbonded::launchWork(), Sequencer::minimize(), Sequencer::runComputeObjects_SOA(), and ComputePme::ungridForces().

submitLoadStats

int Flags::submitLoadStats

Definition at line 31 of file PatchTypes.h.

Referenced by copyIntFlags().

usePairlists

int Flags::usePairlists

Definition at line 39 of file PatchTypes.h.

Referenced by ComputeNonbondedPair::doForce(), ComputeNonbondedSelf::doForce(), HomePatch::doPairlistCheck(), CudaComputeNonbonded::launchWork(), Sequencer::runComputeObjects(), and Sequencer::runComputeObjects_SOA().

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

• PatchTypes.h