#include <NamdTypes.h>
Public Attributes | |
| DispCoef | dispcoef |
| int32 | sortOrder |
| uint32 | id: 30 |
| uint32 | atomFixed: 1 |
| uint32 | groupFixed: 1 |
Detailed Description
Definition at line 148 of file NamdTypes.h.
Member Data Documentation
◆ atomFixed
| uint32 CompAtomExt::atomFixed |
Definition at line 162 of file NamdTypes.h.
Referenced by Sequencer::addMovDragToPosition(), Sequencer::addRotDragToPosition(), Sequencer::berendsenPressure(), Sequencer::calcFixVirial(), WorkDistrib::createAtomLists(), dumpbench(), ParallelIOMgr::integrateMigratedAtoms(), Sequencer::langevinPiston(), ComputeHomeTuples< TholeElem, Thole, TholeValue >::loadTuples(), Sequencer::minimizeMoveDownhill(), Sequencer::reassignVelocities(), Sequencer::reinitVelocities(), and Sequencer::submitMinimizeReductions().
◆ dispcoef
| DispCoef CompAtomExt::dispcoef |
Definition at line 151 of file NamdTypes.h.
Referenced by WorkDistrib::createAtomLists(), and ComputePme::doWork().
◆ groupFixed
| uint32 CompAtomExt::groupFixed |
Definition at line 163 of file NamdTypes.h.
Referenced by Sequencer::berendsenPressure(), WorkDistrib::createAtomLists(), dumpbench(), and Sequencer::langevinPiston().
◆ id
| uint32 CompAtomExt::id |
Definition at line 160 of file NamdTypes.h.
Referenced by Sequencer::addMovDragToPosition(), Sequencer::addRotDragToPosition(), ComputeNonbondedUtil::calcGBIS(), ComputeGridForce::checkGridForceRatio(), WorkDistrib::createAtomLists(), ComputeGridForce::createGridForcedIdxList(), HomePatch::depositMigration(), ComputeGridForce::do_calc(), HomePatch::doAtomMigration(), ComputeStir::doForce(), ComputeRestraints::doForce(), ComputeLCPO::doForce(), ComputeFmmSerial::doWork(), ComputeLjPmeSerial::doWork(), ComputeMsmSerial::doWork(), ComputeExt::doWork(), ComputeGBISser::doWork(), ComputeMsm::doWork(), ComputeQM::doWork(), dumpbench(), Sequencer::langevinPiston(), ComputeHomeTuples< TholeElem, Thole, TholeValue >::loadTuples(), Sequencer::maximumMove(), Sequencer::maximumMove_SOA(), ComputeQM::processFullQM(), HomePatch::qmSwapAtoms(), and Sequencer::rescaleSoluteCharges().
◆ sortOrder
| int32 CompAtomExt::sortOrder |
Definition at line 153 of file NamdTypes.h.
Referenced by HomePatch::positionsReady().
The documentation for this struct was generated from the following file:
