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NAMD
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#include <PatchTypes.h>
Public Member Functions | |
| Flags & | operator= (const Flags &flags) |
Public Attributes | |
| int | step |
| int | sequence |
| int | doEnergy |
| int | doVirial |
| int | doNonbonded |
| int | doFullElectrostatics |
| int | doMolly |
| int | doLoweAndersen |
| int | doGBIS |
| int | doLCPO |
| int | submitLoadStats |
| int | maxForceUsed |
| int | maxForceMerged |
| int | usePairlists |
| int | savePairlists |
| BigReal | pairlistTolerance |
| BigReal | maxAtomMovement |
| BigReal | maxGroupRadius |
| Lattice | lattice |
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.
Definition at line 50 of file PatchTypes.h.
| int Flags::doEnergy |
Definition at line 20 of file PatchTypes.h.
Referenced by ExclElem::computeForce(), ComputeNonbondedPair::doForce(), ComputeNonbondedSelf::doForce(), CudaComputeNonbonded::doWork(), Sequencer::integrate(), Sequencer::minimize(), and ComputeNonbondedCUDA::noWork().
| int Flags::doFullElectrostatics |
Definition at line 23 of file PatchTypes.h.
Referenced by ProxyPatch::boxClosed(), ExclElem::computeForce(), ComputeNonbondedPair::doForce(), ComputeNonbondedSelf::doForce(), CudaComputeNonbonded::doWork(), Patch::forceBoxClosed(), HomePatch::gbisP3Ready(), Sequencer::integrate(), Sequencer::minimize(), Sequencer::multigratorPressure(), ComputePme::noWork(), ComputeNonbondedCUDA::noWork(), Patch::positionsReady(), and Sequencer::runComputeObjects().
| int Flags::doGBIS |
Definition at line 28 of file PatchTypes.h.
Referenced by HomePatch::boxClosed(), ComputeNonbondedPair::doForce(), ComputeNonbondedSelf::doForce(), ComputePatch::doWork(), Sequencer::integrate(), Sequencer::minimize(), ComputeNonbondedSelf::noWork(), Patch::positionsReady(), HomePatch::positionsReady(), and ProxyPatch::receiveAll().
| int Flags::doLCPO |
Definition at line 29 of file PatchTypes.h.
Referenced by Sequencer::integrate(), Sequencer::minimize(), Patch::positionsReady(), HomePatch::positionsReady(), and ProxyPatch::receiveAll().
| int Flags::doLoweAndersen |
Definition at line 26 of file PatchTypes.h.
Referenced by ComputeNonbondedPair::doForce(), ComputeNonbondedSelf::doForce(), Sequencer::integrate(), Sequencer::minimize(), ComputeNonbondedSelf::noWork(), Patch::positionsReady(), and HomePatch::positionsReady().
| int Flags::doMolly |
Definition at line 24 of file PatchTypes.h.
Referenced by ComputeNonbondedSelf::doForce(), ComputePme::doWork(), Sequencer::integrate(), Sequencer::minimize(), ComputeNonbondedSelf::noWork(), Patch::positionsReady(), and HomePatch::positionsReady().
| int Flags::doNonbonded |
Definition at line 22 of file PatchTypes.h.
Referenced by ProxyPatch::boxClosed(), HomePatch::boxClosed(), ExclElem::computeForce(), HomePatch::doGroupSizeCheck(), CudaComputeNonbonded::doWork(), Sequencer::integrate(), Sequencer::minimize(), ComputeNonbondedSelf::noWork(), ComputeNonbondedCUDA::noWork(), and HomePatch::receiveResult().
| int Flags::doVirial |
Definition at line 21 of file PatchTypes.h.
Referenced by CudaComputeNonbonded::doWork(), Patch::forceBoxClosed(), Sequencer::integrate(), Sequencer::submitHalfstep(), and Sequencer::submitReductions().
| Lattice Flags::lattice |
Definition at line 44 of file PatchTypes.h.
Referenced by ComputePme::doWork(), ComputeNonbondedCUDA::doWork(), ComputeNonbondedCUDA::noWork(), and ComputePme::ungridForces().
| BigReal Flags::maxAtomMovement |
Definition at line 41 of file PatchTypes.h.
Referenced by ComputeNonbondedPair::doForce(), ComputeNonbondedSelf::doForce(), HomePatch::doPairlistCheck(), and ComputeNonbondedCUDA::doWork().
| int Flags::maxForceMerged |
Definition at line 32 of file PatchTypes.h.
Referenced by ComputeNonbondedSelf::doForce(), Sequencer::integrate(), and Sequencer::minimize().
| int Flags::maxForceUsed |
Definition at line 31 of file PatchTypes.h.
Referenced by Sequencer::integrate(), Sequencer::minimize(), and Sequencer::submitCollections().
| BigReal Flags::maxGroupRadius |
Definition at line 42 of file PatchTypes.h.
Referenced by ComputeNonbondedPair::doForce(), ComputeNonbondedSelf::doForce(), and HomePatch::doGroupSizeCheck().
| BigReal Flags::pairlistTolerance |
Definition at line 40 of file PatchTypes.h.
Referenced by ComputeNonbondedPair::doForce(), ComputeNonbondedSelf::doForce(), HomePatch::doPairlistCheck(), and ComputeNonbondedCUDA::doWork().
| int Flags::savePairlists |
Definition at line 39 of file PatchTypes.h.
Referenced by ComputeNonbondedSelf::doForce(), HomePatch::doPairlistCheck(), ComputeNonbondedCUDA::doWork(), and CudaComputeNonbonded::launchWork().
| int Flags::sequence |
Definition at line 18 of file PatchTypes.h.
Referenced by ProxyPatch::boxClosed(), ComputeLCPO::doForce(), HomePatch::gbisComputeAfterP1(), HomePatch::gbisComputeAfterP2(), Patch::gbisP2Ready(), HomePatch::gbisP2Ready(), Patch::gbisP3Ready(), HomePatch::gbisP3Ready(), Patch::positionsReady(), HomePatch::positionsReady(), and Sequencer::submitMinimizeReductions().
| int Flags::step |
Definition at line 16 of file PatchTypes.h.
Referenced by AngleElem::computeForce(), CrosstermElem::computeForce(), ImproperElem::computeForce(), DihedralElem::computeForce(), TholeElem::computeForce(), AnisoElem::computeForce(), BondElem::computeForce(), ComputeGridForce::do_calc(), ComputeEField::doForce(), ComputeStir::doForce(), ComputeGridForce::doForce(), ComputeNonbondedPair::doForce(), ComputeNonbondedSelf::doForce(), ComputeRestraints::doForce(), Sequencer::integrate(), Sequencer::minimize(), ComputeNonbondedCUDA::noWork(), and ComputePme::ungridForces().
| int Flags::submitLoadStats |
Definition at line 30 of file PatchTypes.h.
| int Flags::usePairlists |
Definition at line 38 of file PatchTypes.h.
Referenced by ComputeNonbondedPair::doForce(), ComputeNonbondedSelf::doForce(), HomePatch::doPairlistCheck(), ComputeNonbondedCUDA::doWork(), and CudaComputeNonbonded::launchWork().
1.8.5