_hasNewAtoms | Patch | protected |
addForceToMomentum(FullAtom *__restrict atom_arr, const Force *__restrict force_arr, const BigReal dt, int num_atoms) __attribute__((__noinline__)) | HomePatch | |
addForceToMomentum3(FullAtom *__restrict atom_arr, const Force *__restrict force_arr1, const Force *__restrict force_arr2, const Force *__restrict force_arr3, const BigReal dt1, const BigReal dt2, const BigReal dt3, int num_atoms) __attribute__((__noinline__)) | HomePatch | |
addRattleForce(const BigReal invdt, Tensor &wc) | HomePatch | |
addVelocityToPosition(FullAtom *__restrict atom_arr, const BigReal dt, int num_atoms) __attribute__((__noinline__)) | HomePatch | |
atomMapper | Patch | protected |
avgPositionBox | Patch | protected |
avgPositionBoxClosed(void) | Patch | |
avgPositionComputeList | Patch | protected |
avgPositionPtrBegin | Patch | protected |
avgPositionPtrEnd | Patch | protected |
bornRad | Patch | protected |
bornRadBox | Patch | protected |
bornRadBoxClosed(void) | Patch | |
bornRadComputeList | Patch | protected |
boxClosed(int) | HomePatch | protectedvirtual |
boxesOpen | Patch | protected |
buildRattleList() | HomePatch | |
buildRattleList_SOA() | HomePatch | |
buildSpanningTree(void) | HomePatch | |
checkpoint(void) | HomePatch | |
checkpoint_task | HomePatch | |
checkpoints | HomePatch | |
ComputeGlobal class | HomePatch | friend |
computesSortedByPriority | Patch | protected |
cudaAtomPtr | Patch | protected |
dEdaSum | Patch | protected |
dEdaSumBox | Patch | protected |
dEdaSumBoxClosed(void) | Patch | |
dEdaSumComputeList | Patch | protected |
depositMigration(MigrateAtomsMsg *) | HomePatch | |
dHdrPrefix | Patch | protected |
dHdrPrefixBox | Patch | protected |
dHdrPrefixBoxClosed(void) | Patch | |
dHdrPrefixComputeList | Patch | protected |
doAtomMigration() | HomePatch | protected |
doGroupSizeCheck() | HomePatch | protected |
doGroupSizeCheck_SOA() | HomePatch | protected |
doMarginCheck() | HomePatch | protected |
doMarginCheck_SOA() | HomePatch | protected |
doPairlistCheck() | HomePatch | protected |
exchange_dst | HomePatch | |
exchange_msg | HomePatch | |
exchange_req | HomePatch | |
exchange_src | HomePatch | |
exchangeAtoms(int scriptTask) | HomePatch | |
exchangeCheckpoint(int scriptTask, int &bpc) | HomePatch | |
f | Patch | protected |
firstHoldableCompute | Patch | protected |
flags | Patch | |
forceBox | Patch | protected |
forceBoxClosed(void) | Patch | |
forceComputeList | Patch | protected |
gbisComputeAfterP1() | HomePatch | |
gbisComputeAfterP2() | HomePatch | |
gbisP2Ready() | HomePatch | |
gbisP3Ready() | HomePatch | |
getAtomList() | HomePatch | inline |
getCompAtomExtInfo() | Patch | inline |
getCompAtomInfo() | Patch | inline |
getCudaAtomList() | Patch | inline |
getMax() | HomePatch | inline |
getMin() | HomePatch | inline |
getNumAtoms() const | Patch | inline |
getNumComputes() const | Patch | inline |
getNumFixedAtoms() const | Patch | inline |
getPatchID() const | Patch | inline |
gridForceIdxChecked | HomePatch | |
hardWallDrude(const BigReal, Tensor *virial, SubmitReduction *) | HomePatch | |
hasNewAtoms() | Patch | inline |
inMigration | HomePatch | protected |
intRad | Patch | protected |
intRadBox | Patch | protected |
intRadBoxClosed(void) | Patch | |
intRadComputeList | Patch | protected |
lattice | Patch | |
lcpoType | Patch | protected |
lcpoTypeBox | Patch | protected |
lcpoTypeBoxClosed(void) | Patch | |
lcpoTypeComputeList | Patch | protected |
ldObjHandle | HomePatch | |
loweAndersenFinish() | HomePatch | |
loweAndersenVelocities() | HomePatch | |
marginViolations | HomePatch | |
minimize_rattle2(const BigReal, Tensor *virial, bool forces=false) | HomePatch | |
mollyAverage() | HomePatch | |
mollyMollify(Tensor *virial) | HomePatch | |
msgbuf | HomePatch | protected |
noconstList | HomePatch | |
numAtoms | Patch | protected |
numFixedAtoms | Patch | protected |
numMlBuf | HomePatch | protected |
p | Patch | protected |
p_avg | Patch | protected |
Patch(PatchID pd) | Patch | |
patchID | Patch | protected |
PatchMgr class | HomePatch | friend |
pExt | Patch | protected |
positionBox | Patch | protected |
positionBoxClosed(void) | Patch | |
positionComputeList | Patch | protected |
positionsReady(int doMigration=0) | HomePatch | |
Patch::positionsReady(int n=0, int startup=1) | Patch | |
positionsReady_GPU(int doMigration=0, int startup=0) | HomePatch | |
positionsReady_SOA(int doMigration=0) | HomePatch | |
posNew | HomePatch | |
psiFin | Patch | protected |
psiSum | Patch | protected |
psiSumBox | Patch | protected |
psiSumBoxClosed(void) | Patch | |
psiSumComputeList | Patch | protected |
qmSwapAtoms() | HomePatch | |
rattle1(const BigReal, Tensor *virial, SubmitReduction *) | HomePatch | |
rattle1_SOA(const BigReal, Tensor *virial, SubmitReduction *) | HomePatch | |
rattle1old(const BigReal, Tensor *virial, SubmitReduction *) | HomePatch | |
rattle2(const BigReal, Tensor *virial) | HomePatch | |
rattleList | HomePatch | |
rattleListValid | HomePatch | |
rattleListValid_SOA | HomePatch | |
rattleParam | HomePatch | |
receiveResult(ProxyGBISP1ResultMsg *msg) | HomePatch | |
receiveResult(ProxyGBISP2ResultMsg *msg) | HomePatch | |
receiveResults(ProxyResultVarsizeMsg *msg) | HomePatch | |
receiveResults(ProxyResultMsg *msg) | HomePatch | |
receiveResults(ProxyCombinedResultRawMsg *msg) | HomePatch | |
recvCheckpointAck() | HomePatch | |
recvCheckpointLoad(CheckpointAtomsMsg *msg) | HomePatch | |
recvCheckpointReq(int task, const char *key, int replica, int pe) | HomePatch | |
recvCheckpointStore(CheckpointAtomsMsg *msg) | HomePatch | |
recvExchangeMsg(ExchangeAtomsMsg *msg) | HomePatch | |
recvExchangeReq(int req) | HomePatch | |
recvNodeAwareSpanningTree(ProxyNodeAwareSpanningTreeMsg *msg) | HomePatch | |
recvSpanningTree(int *t, int n) | HomePatch | |
registerAvgPositionPickup(Compute *cid) | Patch | |
registerBornRadPickup(Compute *cid) | Patch | |
registerDEdaSumDeposit(Compute *cid) | Patch | |
registerDHdrPrefixPickup(Compute *cid) | Patch | |
registerForceDeposit(Compute *cid) | Patch | |
registerIntRadPickup(Compute *cid) | Patch | |
registerLcpoTypePickup(Compute *cid) | Patch | |
registerPositionPickup(Compute *cid) | Patch | |
registerProxy(RegisterProxyMsg *) | HomePatch | |
registerPsiSumDeposit(Compute *cid) | Patch | |
registerVelocityPickup(Compute *cid) | Patch | |
replaceForces(ExtForce *f) | HomePatch | |
results | Patch | protected |
revert(void) | HomePatch | |
runSequencer(void) | HomePatch | |
saveForce(const int ftag=Results::normal) | HomePatch | |
sendNodeAwareSpanningTree() | HomePatch | |
sendProxies() | HomePatch | |
sendSpanningTree() | HomePatch | |
Sequencer class | HomePatch | friend |
SequencerCUDA class | HomePatch | friend |
setGBISIntrinsicRadii() | HomePatch | |
setLcpoType() | HomePatch | |
setNumFixedAtoms(int numFixed) | Patch | inline |
settleList | HomePatch | |
submitLoadStats(int timestep) | HomePatch | |
unregisterAvgPositionPickup(Compute *cid, Box< Patch, CompAtom > **const box) | Patch | |
unregisterBornRadPickup(Compute *cid, Box< Patch, Real > **const box) | Patch | |
unregisterDEdaSumDeposit(Compute *cid, Box< Patch, GBReal > **const box) | Patch | |
unregisterDHdrPrefixPickup(Compute *cid, Box< Patch, Real > **const box) | Patch | |
unregisterForceDeposit(Compute *cid, Box< Patch, Results > **const box) | Patch | |
unregisterIntRadPickup(Compute *cid, Box< Patch, Real > **const box) | Patch | |
unregisterLcpoTypePickup(Compute *cid, Box< Patch, int > **const box) | Patch | |
unregisterPositionPickup(Compute *cid, Box< Patch, CompAtom > **const box) | Patch | |
unregisterProxy(UnregisterProxyMsg *) | HomePatch | |
unregisterPsiSumDeposit(Compute *cid, Box< Patch, GBReal > **const box) | Patch | |
unregisterVelocityPickup(Compute *cid, Box< Patch, CompAtom > **const box) | Patch | |
updateAtomBuffers() | HomePatch | |
updateAtomCount(const int n, const int reallocate) | HomePatch | |
useSequencer(Sequencer *sequencerPtr) | HomePatch | |
v | Patch | protected |
velNew | HomePatch | |
velocityBox | Patch | protected |
velocityBoxClosed(void) | Patch | |
velocityComputeList | Patch | protected |
velocityPtrBegin | Patch | protected |
velocityPtrEnd | Patch | protected |
~HomePatch() | HomePatch | |
~Patch() | Patch | virtual |