CompAtom Struct Reference

#include <NamdTypes.h>

Inheritance diagram for CompAtom:

List of all members.

Public Attributes
Position	position
Charge	charge
short	vdwType
unsigned char	partition
unsigned int	nonbondedGroupSize: 3
unsigned int	hydrogenGroupSize: 5

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Member Data Documentation

Charge CompAtom::charge

Definition at line 52 of file NamdTypes.h. Referenced by ExclElem::computeForce(), WorkDistrib::createAtomLists(), ComputeEField::doForce(), ComputePme::doWork(), ComputeNonbondedCUDA::doWork(), ComputeFullDirect::doWork(), ComputeExt::doWork(), ComputeEwald::doWork(), dumpbench(), WorkDistrib::fillOnePatchAtoms(), Sequencer::reloadCharges(), scale_n_copy_coordinates(), and SELF().

unsigned int CompAtom::hydrogenGroupSize

Definition at line 56 of file NamdTypes.h. Referenced by Sequencer::berendsenPressure(), WorkDistrib::createAtomLists(), dumpbench(), WorkDistrib::fillOnePatchAtoms(), Sequencer::langevinPiston(), SELF(), Sequencer::submitHalfstep(), Sequencer::submitMinimizeReductions(), and Sequencer::submitReductions().

unsigned int CompAtom::nonbondedGroupSize

Definition at line 55 of file NamdTypes.h. Referenced by WorkDistrib::createAtomLists(), dumpbench(), WorkDistrib::fillOnePatchAtoms(), and SELF().

unsigned char CompAtom::partition

Definition at line 54 of file NamdTypes.h. Referenced by ImproperElem::computeForce(), DihedralElem::computeForce(), CrosstermElem::computeForce(), BondElem::computeForce(), AngleElem::computeForce(), WorkDistrib::createAtomLists(), ComputePme::doWork(), ComputeEwald::doWork(), dumpbench(), WorkDistrib::fillOnePatchAtoms(), SELF(), Sequencer::submitHalfstep(), and Sequencer::submitReductions().

Position CompAtom::position

Definition at line 51 of file NamdTypes.h. Referenced by Sequencer::addMovDragToPosition(), Sequencer::addRotDragToPosition(), HomePatch::addVelocityToPosition(), average(), Sequencer::berendsenPressure(), ExclElem::computeForce(), ImproperElem::computeForce(), DihedralElem::computeForce(), CrosstermElem::computeForce(), BondElem::computeForce(), AngleElem::computeForce(), Sequencer::correctMomentum(), WorkDistrib::createAtomLists(), ComputeSphericalBC::doForce(), ComputeGridForce::doForce(), ComputeCylindricalBC::doForce(), ComputeConsTorque::doForce(), HomePatch::doPairlistCheck(), ComputePme::doWork(), ComputeNonbondedCUDA::doWork(), ComputeFullDirect::doWork(), ComputeExt::doWork(), ComputeEwald::doWork(), dumpbench(), WorkDistrib::fillOnePatchAtoms(), ComputeGridForce::finishForce(), ComputeNonbondedCUDA::finishWork(), Sequencer::langevinPiston(), Sequencer::minimizeMoveDownhill(), mollify(), PatchMgr::moveAllBy(), PatchMgr::moveAtom(), Sequencer::newMinimizePosition(), pairlist_from_pairlist(), ComputeGlobal::recvResults(), scale_n_copy_coordinates(), SELF(), Sequencer::submitHalfstep(), Sequencer::submitMinimizeReductions(), and Sequencer::submitReductions().

short CompAtom::vdwType

Definition at line 53 of file NamdTypes.h. Referenced by ExclElem::computeForce(), WorkDistrib::createAtomLists(), WorkDistrib::fillOnePatchAtoms(), and SELF().

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

• NamdTypes.h

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