NAMD
GlobalMasterIMD Member List

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

addReductionEnergy(int reductionTag, BigReal energy)GlobalMasterprotected
appForcesGlobalMasterprotected
appForcesChangedGlobalMasterprotected
appliedForces()GlobalMaster
atomIdBeginGlobalMasterprotected
atomIdEndGlobalMasterprotected
atomPositionBeginGlobalMasterprotected
calculate()GlobalMasterIMDprotectedvirtual
changedAtoms()GlobalMaster
changedForces()GlobalMaster
changedGridObjs()GlobalMaster
changedGroups()GlobalMaster
check() constGlobalMaster
clearChanged()GlobalMaster
clientsGlobalMasterIMDprotected
coordtmpGlobalMasterIMDprotected
coordtmpsizeGlobalMasterIMDprotected
fAtomsGlobalMasterprotected
forcedAtoms()GlobalMaster
forceIdBeginGlobalMasterprotected
forceIdEndGlobalMasterprotected
forcetmpGlobalMasterIMDprotected
forcetmpsizeGlobalMasterIMDprotected
get_vmd_forces()GlobalMasterIMDprotected
getAtomIdBegin()GlobalMasterprotected
getAtomIdEnd()GlobalMasterprotected
getAtomPositionBegin()GlobalMasterprotected
getCurrentReduction()GlobalMasterprotected
getForceIdBegin()GlobalMasterprotected
getForceIdEnd()GlobalMasterprotected
getGridObjIndexBegin()GlobalMasterprotected
getGridObjIndexEnd()GlobalMasterprotected
getGridObjValueBegin()GlobalMasterprotected
getGridObjValueEnd()GlobalMasterprotected
getGroupMassBegin()GlobalMasterprotected
getGroupMassEnd()GlobalMasterprotected
getGroupPositionBegin()GlobalMasterprotected
getGroupPositionEnd()GlobalMasterprotected
getGroupTotalForceBegin()GlobalMasterprotected
getGroupTotalForceEnd()GlobalMasterprotected
getLastAtomsForcedBegin()GlobalMasterprotected
getLastAtomsForcedEnd()GlobalMasterprotected
getLastForcesBegin()GlobalMasterprotected
getTotalForce()GlobalMasterprotected
GlobalMaster()GlobalMasterprotected
GlobalMasterIMD()GlobalMasterIMD
globalMasterStepGlobalMaster
gridObjForces()GlobalMaster
gridobjForcesGlobalMasterprotected
gridObjIndexBeginGlobalMasterprotected
gridObjIndexEndGlobalMasterprotected
gridObjValueBeginGlobalMasterprotected
gridObjValueEndGlobalMasterprotected
groupForces()GlobalMaster
groupMassBeginGlobalMasterprotected
groupMassEndGlobalMasterprotected
groupPositionBeginGlobalMasterprotected
groupPositionEndGlobalMasterprotected
groupTotalForceBeginGlobalMasterprotected
groupTotalForceEndGlobalMasterprotected
grpForcesGlobalMasterprotected
IMDignoreGlobalMasterIMDprotected
IMDignoreForcesGlobalMasterIMDprotected
IMDOutput classGlobalMasterIMDfriend
IMDsendsettingsGlobalMasterIMDprotected
IMDv3TimeoutSecondsGlobalMasterIMDprotected
IMDversionGlobalMasterIMDprotected
IMDwaitGlobalMasterIMDprotected
lastAtomsForcedBeginGlobalMasterprotected
lastAtomsForcedEndGlobalMasterprotected
lastForcesBeginGlobalMasterprotected
latticeGlobalMasterprotected
modifyAppliedForces()GlobalMasterprotected
modifyForcedAtoms()GlobalMasterprotected
modifyGridObjForces()GlobalMasterprotected
modifyGroupForces()GlobalMasterprotected
modifyRequestedAtoms()GlobalMasterprotected
modifyRequestedGridObjects()GlobalMasterprotected
modifyRequestedGroups()GlobalMasterprotected
old_num_groups_requestedGlobalMaster
processData(AtomIDList::iterator a_i, AtomIDList::iterator a_e, PositionList::iterator p_i, PositionList::iterator g_i, PositionList::iterator g_e, BigRealList::iterator gm_i, BigRealList::iterator gm_e, ForceList::iterator gtf_i, ForceList::iterator gtf_e, IntList::iterator goi_i, IntList::iterator goi_e, BigRealList::iterator gov_i, BigRealList::iterator gov_e, AtomIDList::iterator last_atoms_forced_i, AtomIDList::iterator last_atoms_forced_e, ForceList::iterator last_forces_i, AtomIDList::iterator, AtomIDList::iterator, ForceList::iterator)GlobalMaster
reqAtomsGlobalMasterprotected
reqAtomsChangedGlobalMasterprotected
reqGridObjsGlobalMasterprotected
reqGridObjsChangedGlobalMasterprotected
reqGroupsGlobalMasterprotected
reqGroupsChangedGlobalMasterprotected
requestedAtoms()GlobalMaster
requestedGridObjs()GlobalMaster
requestedGroups()GlobalMaster
requestedTotalForces()GlobalMasterinline
requestTotalForce(bool yesno=true)GlobalMasterinlineprotected
send_box(IMDBox *)GlobalMasterIMD
send_energies(IMDEnergies *)GlobalMasterIMD
send_fcoords(int, FloatVector *)GlobalMasterIMD
send_forces(int, FloatVector *)GlobalMasterIMD
send_time(IMDTime *)GlobalMasterIMD
send_velocities(int, FloatVector *)GlobalMasterIMD
setLattice(const Lattice *lat)GlobalMasterinline
sockGlobalMasterIMDprotected
stepGlobalMaster
submitReduction()GlobalMasterprotected
totalForceBeginGlobalMasterprotected
totalForceRequestedGlobalMasterprotected
veltmpGlobalMasterIMDprotected
veltmpsizeGlobalMasterIMDprotected
~GlobalMaster()GlobalMastervirtual
~GlobalMasterIMD()GlobalMasterIMD