FullAtom Struct Reference

#include <NamdTypes.h>

Inheritance diagram for FullAtom:

List of all members.

Public Attributes
Velocity	velocity
Position	fixedPosition
Mass	mass
int32	status
Transform	transform
int	migrationGroupSize
Real	rigidBondLength
Real	langevinParam

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Member Data Documentation

Position FullAtom::fixedPosition

Definition at line 91 of file NamdTypes.h. Referenced by WorkDistrib::createAtomLists(), PatchMgr::moveAllBy(), PatchMgr::moveAtom(), Sequencer::submitMinimizeReductions(), and Sequencer::submitReductions().

Real FullAtom::langevinParam

Definition at line 94 of file NamdTypes.h. Referenced by WorkDistrib::createAtomLists(), Sequencer::langevinVelocitiesBBK1(), and Sequencer::langevinVelocitiesBBK2().

Mass FullAtom::mass

Definition at line 92 of file NamdTypes.h. Referenced by Sequencer::berendsenPressure(), Sequencer::correctMomentum(), WorkDistrib::createAtomLists(), Sequencer::langevinPiston(), Sequencer::langevinVelocitiesBBK1(), Sequencer::langevinVelocitiesBBK2(), Sequencer::reassignVelocities(), Sequencer::reinitVelocities(), Sequencer::submitHalfstep(), Sequencer::submitMinimizeReductions(), Sequencer::submitMomentum(), and Sequencer::submitReductions().

int FullAtom::migrationGroupSize

Definition at line 101 of file NamdTypes.h. Referenced by WorkDistrib::createAtomLists().

Real FullAtom::rigidBondLength

Definition at line 102 of file NamdTypes.h. Referenced by WorkDistrib::createAtomLists(), and ParallelIOMgr::integrateMigratedAtoms().

int32 FullAtom::status

Definition at line 99 of file NamdTypes.h. Referenced by WorkDistrib::createAtomLists().

Transform FullAtom::transform

Definition at line 100 of file NamdTypes.h. Referenced by WorkDistrib::createAtomLists(), ComputeGridForce::do_calc(), PatchMgr::moveAllBy(), PatchMgr::moveAtom(), and ComputeGlobal::recvResults().

Velocity FullAtom::velocity

Definition at line 90 of file NamdTypes.h. Referenced by HomePatch::addForceToMomentum(), HomePatch::addVelocityToPosition(), Sequencer::correctMomentum(), WorkDistrib::createAtomLists(), Sequencer::langevinPiston(), Sequencer::langevinVelocities(), Sequencer::langevinVelocitiesBBK1(), Sequencer::langevinVelocitiesBBK2(), Sequencer::maximumMove(), Sequencer::minimizationQuenchVelocity(), Sequencer::newMinimizeDirection(), Sequencer::newMinimizePosition(), Sequencer::quenchVelocities(), Sequencer::reassignVelocities(), Sequencer::reinitVelocities(), Sequencer::rescaleVelocities(), Sequencer::rescaleVelocitiesByFactor(), Sequencer::submitHalfstep(), Sequencer::submitMinimizeReductions(), Sequencer::submitMomentum(), Sequencer::submitReductions(), and Sequencer::tcoupleVelocities().

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

• NamdTypes.h

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