NAMD
Sequencer Member List

This is the complete list of members for Sequencer, including all inherited members.

adaptTempTSequencerprotected
adaptTempUpdate(int)Sequencerprotected
addForceToMomentum(BigReal, const int ftag=Results::normal, const int useSaved=0)Sequencerprotected
addForceToMomentum3(const BigReal timestep1, const int ftag1, const int useSaved1, const BigReal timestep2, const int ftag2, const int useSaved2, const BigReal timestep3, const int ftag3, const int useSaved3)Sequencerprotected
addForceToMomentum_SOA(const double scaling, double dt_normal, double dt_nbond, double dt_slow, int maxForceNumber)Sequencerprotected
addMovDragToPosition(BigReal)Sequencerprotected
addRotDragToPosition(BigReal)Sequencerprotected
addVelocityToPosition(BigReal)Sequencerprotected
addVelocityToPosition_SOA(const double dt)Sequencerprotected
algorithm(void)Sequencerprotectedvirtual
awaken(void)Sequencerinline
berendsenPressure(int)Sequencerprotected
berendsenPressure_countSequencerprotected
berendsenPressure_SOA(int step)Sequencerprotected
broadcastSequencerprotected
calcFixVirial(Tensor &fixVirialNormal, Tensor &fixVirialNbond, Tensor &fixVirialSlow, Vector &fixForceNormal, Vector &fixForceNbond, Vector &fixForceSlow)Sequencerprotected
calcKineticEnergy()Sequencerprotected
checkpoint_berendsenPressure_countSequencerprotected
clearDevicePatchMap()Sequencerprotected
collectionSequencerprotected
constructDevicePatchMap()Sequencerprotected
correctMomentum(int step, BigReal drifttime)Sequencerprotected
cycleBarrier(int, int)Sequencerprotected
doKineticEnergySequencerprotected
doMigrationGPU(const int startup, const int doGlobal, const int updatePatchMap)Sequencerprotected
doMomentaSequencerprotected
hardWallDrude(BigReal, int)Sequencerprotected
HomePatch classSequencerfriend
initialize_integrate_CUDA_SOA(int scriptTask, int step, BigReal timestep, int numberOfSteps, int nbondstep, int slowstep, int maxForceUsed)Sequencerprotected
integrate(int)Sequencerprotected
integrate_CUDA_SOA(int scriptTask)Sequencerprotected
integrate_SOA(int)Sequencerprotected
langevinPiston(int)Sequencerprotected
langevinPiston_SOA(int step)Sequencerprotected
langevinVelocities(BigReal)Sequencerprotected
langevinVelocitiesBBK1(BigReal)Sequencerprotected
langevinVelocitiesBBK1_SOA(BigReal timestep)Sequencerprotected
langevinVelocitiesBBK2(BigReal)Sequencerprotected
langevinVelocitiesBBK2_SOA(BigReal timestep)Sequencerprotected
ldbStepsSequencerprotected
masterThreadSequencerprotected
maximumMove(BigReal)Sequencerprotected
maximumMove_SOA(const double dt, const double maxvel2)Sequencerprotected
min_reductionSequencerprotected
minimizationQuenchVelocity(void)Sequencerprotected
minimize()Sequencerprotected
minimizeMoveDownhill(BigReal fmax2)Sequencerprotected
monteCarloPressureControl(const int step, const int doMigration, const int doEnergy, const int doVirial, const int maxForceNumber, const int doGlobal)Sequencerprotected
multigratorPressure(int step, int callNumber)Sequencerprotected
multigratorReductionSequencerprotected
multigratorTemperature(int step, int callNumber)Sequencerprotected
newMinimizeDirection(BigReal)Sequencerprotected
newMinimizePosition(BigReal)Sequencerprotected
newtonianVelocities(BigReal, const BigReal, const BigReal, const BigReal, const int, const int, const int)Sequencerprotected
pairlistsAgeSequencerprotected
pairlistsAgeLimitSequencerprotected
pairlistsAreValidSequencerprotected
patchSequencerprotected
pressureProfileReductionSequencerprotected
printDevicePatchMap()Sequencerprotected
quenchVelocities()Sequencerprotected
randomSequencerprotected
rattle1(BigReal, int)Sequencerprotected
rattle1_SOA(BigReal, int)Sequencerprotected
reassignVelocities(BigReal, int)Sequencerprotected
rebalanceLoad(int timestep)Sequencerprotected
reductionSequencerprotected
reinitVelocities(void)Sequencerprotected
reloadCharges()Sequencerprotected
rescaleaccelMD(int, int, int)Sequencerprotected
rescaleSoluteCharges(BigReal)Sequencerprotected
rescaleVelocities(int)Sequencerprotected
rescaleVelocities_numTempsSequencerprotected
rescaleVelocitiesByFactor(BigReal)Sequencerprotected
run(void)Sequencer
runComputeObjects(int migration=1, int pairlists=0, int pressureStep=0)Sequencerprotected
runComputeObjects_SOA(int migration, int pairlists, int step)Sequencerprotected
runComputeObjectsCUDA(int doMigration, int doGlobal, int pairlists, int nstep, int startup)Sequencerprotected
saveForce(const int ftag=Results::normal)Sequencerprotected
scalePositionsVelocities(const Tensor &posScale, const Tensor &velScale)Sequencerprotected
scaleVelocities(const BigReal velScale)Sequencerprotected
Sequencer(HomePatch *p)Sequencer
SequencerCUDA classSequencerfriend
simParamsSequencerprotected
slowFreqSequencerprotected
stochRescale_countSequencerprotected
stochRescaleVelocities(int)Sequencerprotected
stochRescaleVelocities_SOA(int step)Sequencerprotected
submitCollections(int step, int zeroVel=0)Sequencerprotected
submitCollections_SOA(int step, int zeroVel=0)Sequencerprotected
submitHalfstep(int)Sequencerprotected
submitHalfstep_SOA()Sequencerprotected
submitMinimizeReductions(int, BigReal fmax2)Sequencerprotected
submitMomentum(int step)Sequencerprotected
submitReductions(int)Sequencerprotected
submitReductions_SOA()Sequencerprotected
suspend(void)Sequencer
suspendULTs()Sequencerprotected
tcoupleVelocities(BigReal, int)Sequencerprotected
terminate(void)Sequencerprotected
traceBarrier(int)Sequencerprotected
updateDeviceData(const int startup, const int maxForceUsed, const int doGlobal)Sequencerprotected
updateDevicePatchMap(int startup)Sequencerprotected
wakeULTs()Sequencerprotected
~Sequencer(void)Sequencervirtual