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CompAtom Struct Reference

#include <NamdTypes.h>

Inheritance diagram for CompAtom:

FullAtom List of all members.

Public Attributes

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

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().


The documentation for this struct was generated from the following file:
Generated on Mon Nov 23 04:59:34 2009 for NAMD by  doxygen 1.3.9.1