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Searched refs:Walker_t (Results 1 – 25 of 95) sorted by relevance

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/dports/science/qmcpack/qmcpack-3.11.0/src/Particle/
H A DReptile.h41 typedef MCWalkerConfiguration::Walker_t Walker_t; typedef
45 typedef std::vector<Walker_t::ParticlePos_t> ReptileConfig_t;
60 Walker_t* prophead;
89 inline Walker_t& getWalker(IndexType i) in getWalker()
113 inline void setBead(Walker_t& walker, IndexType i) in setBead()
116 Walker_t& newbead(getWalker(index)); in setBead()
120 inline void setHead(Walker_t& overwrite) in setHead()
124 Walker_t& newhead(getBead(0)); in setHead()
128 inline Walker_t& getNewHead() in getNewHead()
154 …RealType getLinkAction(Walker_t& new_walker, Walker_t& old_walker, IndexType d, IndexType nPsi = 0)
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H A DWalkerConfigurations.cpp38 Walker_t* awalker = new Walker_t(numPtcls); in createWalkers()
50 WalkerList.push_back(new Walker_t(*WalkerList[--iw])); in createWalkers()
60 WalkerList.push_back(new Walker_t(*WalkerList[iw])); in createWalkers()
65 WalkerList.push_back(new Walker_t(*WalkerList[--nw0])); in createWalkers()
111 WalkerList.push_back(new Walker_t(**first)); in createWalkers()
H A DPSdispatcher.h27 using Walker_t = ParticleSet::Walker_t;
33 const RefVector<Walker_t>& walkers,
48 …void flex_saveWalker(const RefVectorWithLeader<ParticleSet>& p_list, const RefVector<Walker_t>& wa…
H A DWalkerConfigurations.h60 using Walker_t = Walker<QMCTraits, PtclOnLatticeTraits>;
63 using WalkerList_t = std::vector<Walker_t*>;
170 inline void push_back(Walker_t* awalker) { WalkerList.push_back(awalker); } in push_back()
182 inline Walker_t* operator[](int i) { return WalkerList[i]; }
184 inline const Walker_t* operator[](int i) const { return WalkerList[i]; }
H A DMCSample.h31 using Walker_t = ParticleSet::Walker_t; member
42 inline MCSample(const Walker_t& w) : R(w.R), spins(w.spins), G(w.G), L(w.L) in MCSample()
58 inline void convertToWalker(Walker_t& w) const in convertToWalker()
H A DParticleSet.h51 typedef Walker<QMCTraits, PtclOnLatticeTraits> Walker_t; typedef
53 typedef Walker_t::PropertyContainer_t PropertyContainer_t;
337 bool makeMoveAllParticles(const Walker_t& awalker, const ParticlePos_t& deltaR, RealType dt);
339 …bool makeMoveAllParticles(const Walker_t& awalker, const ParticlePos_t& deltaR, const std::vector<…
344 bool makeMoveAllParticlesWithDrift(const Walker_t& awalker,
349 bool makeMoveAllParticlesWithDrift(const Walker_t& awalker,
419 void loadWalker(Walker_t& awalker, bool pbyp);
422 const RefVector<Walker_t>& walkers,
431 void saveWalker(Walker_t& awalker);
437 …static void mw_saveWalker(const RefVectorWithLeader<ParticleSet>& psets, const RefVector<Walker_t>…
H A DMCWalkerConfiguration.h71 using Walker_t = WalkerConfigurations::Walker_t; variable
73 typedef Walker_t::PropertyContainer_t PropertyContainer_t;
75 typedef std::vector<Walker_t*> WalkerList_t;
117 …void NLMove_GPU(std::vector<Walker_t*>& walkers, std::vector<PosType>& Rnew, std::vector<int>& iat…
H A DMCWalkerConfiguration.cpp236 Walker_t::PropertyContainer_t prop(1, PropertyList.size(), 1, WP::MAXPROPERTIES); in loadEnsemble()
241 Walker_t* awalker = new Walker_t(TotalNum); in loadEnsemble()
309 Walker_t::PropertyContainer_t prop(1, PropertyList.size(), 1, WP::MAXPROPERTIES); in loadEnsemble()
318 Walker_t* awalker = new Walker_t(TotalNum); in loadEnsemble()
402 Walker_t& walker = *(WalkerList[iw]); in allocateGPU()
498 void MCWalkerConfiguration::NLMove_GPU(std::vector<Walker_t*>& walkers, in NLMove_GPU()
/dports/science/qmcpack/qmcpack-3.11.0/src/Particle/tests/
H A Dtest_sample_stack.cpp43 using Walker_t = ParticleSet::Walker_t; typedef
44 using WalkerList_t = std::vector<std::unique_ptr<Walker_t>>;
49 walker_list.push_back(std::make_unique<Walker_t>(total_num));
57 Walker_t w1;
/dports/science/qmcpack/qmcpack-3.11.0/src/QMCDrivers/RMC/
H A DRMCUpdatePbyP.cpp67 Walker_t& awalker = **it; //W.reptile->getHead(); in initWalkersForPbyP()
127 Walker_t& curhead = W.reptile->getHead(); in advanceWalkersVMC()
128 Walker_t prophead(curhead); in advanceWalkersVMC()
129 Walker_t::WFBuffer_t& w_buffer(prophead.DataSet); in advanceWalkersVMC()
207 MCWalkerConfiguration::Walker_t& newhead(W.reptile->getNewHead()); in advanceWalkersVMC()
239 Walker_t& centerbead = W.reptile->getCenter(); in advanceWalkersVMC()
259 Walker_t& curhead = W.reptile->getHead(); in advanceWalkersRMC()
260 Walker_t prophead(curhead); in advanceWalkersRMC()
261 Walker_t::WFBuffer_t& w_buffer(prophead.DataSet); in advanceWalkersRMC()
352 MCWalkerConfiguration::Walker_t& overwriteWalker(W.reptile->getNewHead()); in advanceWalkersRMC()
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H A DRMCUpdateAll.cpp109 Walker_t& curhead = W.reptile->getHead(); in advanceWalkersVMC()
140 Walker_t::ParticlePos_t fromdeltaR(deltaR); in advanceWalkersVMC()
158 Walker_t &lastbead(W.reptile->getTail()), nextlastbead(W.reptile->getNext()); in advanceWalkersVMC()
244 MCWalkerConfiguration::Walker_t& overwriteWalker(W.reptile->getNewHead()); in advanceWalkersVMC()
295 void RMCUpdateAllWithDrift::advanceWalker(Walker_t& thisWalker, bool recompute) {} in advanceWalker()
320 Walker_t& curhead = W.reptile->getHead(); in advanceWalkersRMC()
321 Walker_t& centerbead = W.reptile->getCenter(); in advanceWalkersRMC()
367 Walker_t::ParticlePos_t fromdeltaR(deltaR); in advanceWalkersRMC()
383 Walker_t &lastbead(W.reptile->getTail()), nextlastbead(W.reptile->getNext()); in advanceWalkersRMC()
489 MCWalkerConfiguration::Walker_t& overwriteWalker(W.reptile->getNewHead()); in advanceWalkersRMC()
/dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/
H A DEinsplineSet.h444 void evaluate(std::vector<Walker_t*>& walkers, int iat, gpu::device_vector<CTS::RealType*>& phi);
447 void evaluate(std::vector<Walker_t*>& walkers,
450 inline void evaluate(std::vector<Walker_t*>& walkers,
458 void evaluate(std::vector<Walker_t*>& walkers,
466 inline void evaluate(std::vector<Walker_t*>& walkers,
476 void evaluate(std::vector<Walker_t*>& walkers,
565 typedef typename EinsplineSetExtended<StorageType>::Walker_t Walker_t;
621 void evaluate(std::vector<Walker_t*>& walkers, int iat, gpu::device_vector<CTS::RealType*>& phi);
624 void evaluate(std::vector<Walker_t*>& walkers,
627 void evaluate(std::vector<Walker_t*>& walkers,
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H A DWaveFunctionComponent.h87 typedef ParticleSet::Walker_t Walker_t; typedef
88 typedef Walker_t::WFBuffer_t WFBufferType;
89 typedef Walker_t::Buffer_t BufferType;
612 virtual void ratio(std::vector<Walker_t*>& walkers, in ratio()
655 …virtual void update(MCWalkerConfiguration* W, std::vector<Walker_t*>& walkers, int iat, std::vecto… in update()
661 virtual void update(const std::vector<Walker_t*>& walkers, const std::vector<int>& iatList) in update()
/dports/science/qmcpack/qmcpack-3.11.0/src/Estimators/
H A DRMCLocalEnergyEstimator.h49 inline void accumulate(const Walker_t& awalker, RealType wgt) {} in accumulate()
64 Walker_t& head = W.reptile->getHead(); in accumulate()
65 Walker_t& tail = W.reptile->getTail(); in accumulate()
66 Walker_t& center = W.reptile->getCenter(); in accumulate()
/dports/science/qmcpack/qmcpack-3.11.0/src/QMCDrivers/tests/
H A Dtest_walker_control.cpp247 typedef MCWalkerConfiguration::Walker_t Walker_t; in operator ()() typedef
260 wc.good_w.push_back(new Walker_t()); in operator ()()
276 wc.good_w.push_back(new Walker_t()); in operator ()()
277 wc.good_w.push_back(new Walker_t()); in operator ()()
325 wc.good_w.push_back(new Walker_t()); in operator ()()
326 wc.good_w.push_back(new Walker_t()); in operator ()()
450 typedef MCWalkerConfiguration::Walker_t Walker_t; typedef
/dports/science/qmcpack/qmcpack-3.11.0/src/QMCDrivers/DMC/
H A DWalkerControlMPI.cpp194 Walker_t& wRef(*(good_w.empty() ? bad_w[0] : good_w[0])); in swapWalkersSimple()
195 std::vector<Walker_t*> newW; in swapWalkersSimple()
238 Walker_t*& awalker = good_w[ncopy_pairs.back().second]; in swapWalkersSimple()
280 Walker_t* awalker(nullptr); in swapWalkersSimple()
315 Walker_t*& awalker = good_w[jobit->walkerID]; in swapWalkersSimple()
347 Walker_t*& awalker = newW[jobit->walkerID]; in swapWalkersSimple()
349 awalker = new Walker_t(wRef); in swapWalkersSimple()
385 std::vector<Walker_t*> good_w_temp(good_w); in swapWalkersSimple()
/dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/Fermion/
H A DSlaterDetCUDA.cpp35 void SlaterDet::ratio(std::vector<Walker_t*>& walkers, in ratio()
43 std::vector<std::vector<Walker_t*>> sorted_walkers(Dets.size()); in ratio()
81 void SlaterDet::update(const std::vector<Walker_t*>& walkers, const std::vector<int>& iatList) in update()
84 std::vector<std::vector<Walker_t*>> sorted_walkers(Dets.size()); in update()
H A DDiracDeterminantCUDA.cpp109 std::vector<Walker_t*>& walkers = W.WalkerList; in det_lookahead()
506 std::vector<Walker_t*>& walkers = W.WalkerList; in recompute()
689 std::vector<Walker_t*>& walkers = W.WalkerList; in addLog()
756 std::vector<Walker_t*>& walkers = W.WalkerList; in calcGradient()
812 std::vector<Walker_t*>& walkers = W.WalkerList; in addGradient()
853 std::vector<Walker_t*>& walkers = W.WalkerList; in ratio()
897 std::vector<Walker_t*>& walkers = W.WalkerList; in ratio()
906 Walker_t::cuda_Buffer_t& data = in ratio()
1044 std::vector<Walker_t*>& walkers = W.WalkerList; in calcRatio()
1165 std::vector<Walker_t*>& walkers = W.WalkerList; in addRatio()
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/dports/science/qmcpack/qmcpack-3.11.0/src/QMCDrivers/
H A DQMCUpdateBase.h42 typedef MCWalkerConfiguration::Walker_t Walker_t; typedef
154 inline void setMultiplicity(Walker_t& awalker) const in setMultiplicity()
191 virtual void advanceWalker(Walker_t& thisWalker, bool recompute) = 0;
193 virtual RealType advanceWalkerForEE(Walker_t& w1, in advanceWalkerForEE()
H A DWalkerControlBase.h56 typedef MCWalkerConfiguration::Walker_t Walker_t; typedef
207 std::vector<Walker_t*> good_w, bad_w;
/dports/science/qmcpack/qmcpack-3.11.0/src/QMCHamiltonians/
H A DQMCHamiltonian.h55 typedef OperatorBase::Walker_t Walker_t; typedef
103 void collect_walker_traces(Walker_t& walker, int step);
189 void auxHevaluate(ParticleSet& P, Walker_t& ThisWalker);
190 void auxHevaluate(ParticleSet& P, Walker_t& ThisWalker, bool do_properties, bool do_collectables);
191 void rejectedMove(ParticleSet& P, Walker_t& ThisWalker);
/dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/Jastrow/
H A DOneBodyJastrowOrbitalBspline.cpp59 std::vector<Walker_t*>& walkers = W.WalkerList; in addLog()
76 Walker_t& walker = *(walkers[iw]); in addLog()
162 std::vector<Walker_t*>& walkers = W.WalkerList; in ratio()
243 Walker_t& walker = *(walkers[iw]); in ratio()
268 std::vector<Walker_t*>& walkers = W.WalkerList; in calcRatio()
339 std::vector<Walker_t*>& walkers = W.WalkerList; in addRatio()
364 Walker_t& walker = *(walkers[iw]); in addRatio()
387 std::vector<Walker_t*>& walkers = W.WalkerList; in NLratios()
470 std::vector<Walker_t*>& walkers = W.WalkerList; in calcGradient()
522 std::vector<Walker_t*>& walkers = W.WalkerList; in addGradient()
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H A DTwoBodyJastrowOrbitalBspline.h75 typedef ParticleSet::Walker_t Walker_t; typedef
84 …void update(MCWalkerConfiguration* W, std::vector<Walker_t*>& walkers, int iat, std::vector<bool>*…
85 void update(const std::vector<Walker_t*>& walkers, const std::vector<int>& iatList) in update()
106 void ratio(std::vector<Walker_t*>& walkers, in ratio()
H A DTwoBodyJastrowOrbitalBspline.cpp102 std::vector<Walker_t*>& walkers = W.WalkerList; in addLog()
120 Walker_t& walker = *(walkers[iw]); in addLog()
201 std::vector<Walker_t*>& walkers = W.WalkerList; in ratio()
210 Walker_t& walker = *(walkers[iw]); in ratio()
313 std::vector<Walker_t*>& walkers = W.WalkerList; in calcRatio()
329 Walker_t& walker = *(walkers[iw]); in calcRatio()
409 std::vector<Walker_t*>& walkers = W.WalkerList; in addRatio()
440 std::vector<Walker_t*>& walkers = W.WalkerList; in NLratios()
527 std::vector<Walker_t*>& walkers = W.WalkerList; in calcGradient()
574 std::vector<Walker_t*>& walkers = W.WalkerList; in addGradient()
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/dports/science/qmcpack/qmcpack-3.11.0/src/QMCDrivers/CorrelatedSampling/
H A DCSVMCUpdateAll.h41 void advanceWalker(Walker_t& thisWalker, bool recompute);
56 void advanceWalker(Walker_t& thisWalker, bool recompute);

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