CompAtom Struct Reference

#include <NamdTypes.h>

Inheritance diagram for CompAtom:
FullAtom InputAtom

List of all members.

Public Attributes

Position position
Charge charge
short vdwType
unsigned char partition
unsigned int nonbondedGroupSize: 3
unsigned int hydrogenGroupSize: 4
unsigned int isWater: 1

Detailed Description

Definition at line 52 of file NamdTypes.h.


Member Data Documentation

unsigned int CompAtom::isWater

Definition at line 59 of file NamdTypes.h.

unsigned char CompAtom::partition

Definition at line 53 of file NamdTypes.h.

Referenced by Sequencer::addMovDragToPosition(), Sequencer::addRotDragToPosition(), average(), Sequencer::berendsenPressure(), ParallelIOMgr::calcAtomsInEachPatch(), ComputeNonbondedUtil::calcGBIS(), TholeElem::computeForce(), ExclElem::computeForce(), ImproperElem::computeForce(), GromacsPairElem::computeForce(), DihedralElem::computeForce(), CrosstermElem::computeForce(), BondElem::computeForce(), AnisoElem::computeForce(), AngleElem::computeForce(), WorkDistrib::createAtomLists(), HomePatch::depositMigration(), ComputeGridForce::do_calc(), HomePatch::doAtomMigration(), ComputeSphericalBC::doForce(), ComputeLCPO::doForce(), ComputeCylindricalBC::doForce(), ComputeConsTorque::doForce(), HomePatch::doGroupSizeCheck(), HomePatch::doMarginCheck(), HomePatch::doPairlistCheck(), ComputePme::doWork(), ComputeNonbondedCUDA::doWork(), ComputeMsmSerial::doWork(), ComputeMsm::doWork(), ComputeGBISser::doWork(), ComputeFullDirect::doWork(), ComputeFmmSerial::doWork(), ComputeExt::doWork(), ComputeEwald::doWork(), dumpbench(), ComputeNonbondedCUDA::finishWork(), Sequencer::langevinPiston(), Sequencer::minimizeMoveDownhill(), mollify(), PatchMgr::moveAllBy(), PatchMgr::moveAtom(), Sequencer::multigratorPressure(), Sequencer::multigratorTemperature(), Sequencer::newMinimizePosition(), sortop_z::operator()(), sortop_y::operator()(), sortop_x::operator()(), pairlist_from_pairlist(), pairlistFromAll(), partition(), Patch::positionsReady(), HomePatch::positionsReady(), Sequencer::rattle1(), ComputeGlobal::recvResults(), Sequencer::scalePositionsVelocities(), Sequencer::submitHalfstep(), Sequencer::submitMinimizeReductions(), and Sequencer::submitReductions().


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

Generated on 6 Dec 2019 for NAMD by  doxygen 1.6.1