/dports/science/qmcpack/qmcpack-3.11.0/src/Particle/ |
H A D | Reptile.h | 41 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) [all …]
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H A D | WalkerConfigurations.cpp | 38 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()
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H A D | PSdispatcher.h | 27 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…
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H A D | WalkerConfigurations.h | 60 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]; }
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H A D | MCSample.h | 31 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()
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H A D | ParticleSet.h | 51 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>…
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H A D | MCWalkerConfiguration.h | 71 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…
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H A D | MCWalkerConfiguration.cpp | 236 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()
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/dports/science/qmcpack/qmcpack-3.11.0/src/Particle/tests/ |
H A D | test_sample_stack.cpp | 43 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;
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/dports/science/qmcpack/qmcpack-3.11.0/src/QMCDrivers/RMC/ |
H A D | RMCUpdatePbyP.cpp | 67 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() [all …]
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H A D | RMCUpdateAll.cpp | 109 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()
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/dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/ |
H A D | EinsplineSet.h | 444 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, [all …]
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H A D | WaveFunctionComponent.h | 87 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()
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/dports/science/qmcpack/qmcpack-3.11.0/src/Estimators/ |
H A D | RMCLocalEnergyEstimator.h | 49 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()
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/dports/science/qmcpack/qmcpack-3.11.0/src/QMCDrivers/tests/ |
H A D | test_walker_control.cpp | 247 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
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/dports/science/qmcpack/qmcpack-3.11.0/src/QMCDrivers/DMC/ |
H A D | WalkerControlMPI.cpp | 194 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()
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/dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/Fermion/ |
H A D | SlaterDetCUDA.cpp | 35 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()
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H A D | DiracDeterminantCUDA.cpp | 109 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() [all …]
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/dports/science/qmcpack/qmcpack-3.11.0/src/QMCDrivers/ |
H A D | QMCUpdateBase.h | 42 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()
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H A D | WalkerControlBase.h | 56 typedef MCWalkerConfiguration::Walker_t Walker_t; typedef 207 std::vector<Walker_t*> good_w, bad_w;
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/dports/science/qmcpack/qmcpack-3.11.0/src/QMCHamiltonians/ |
H A D | QMCHamiltonian.h | 55 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);
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/dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/Jastrow/ |
H A D | OneBodyJastrowOrbitalBspline.cpp | 59 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() [all …]
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H A D | TwoBodyJastrowOrbitalBspline.h | 75 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()
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H A D | TwoBodyJastrowOrbitalBspline.cpp | 102 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() [all …]
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/dports/science/qmcpack/qmcpack-3.11.0/src/QMCDrivers/CorrelatedSampling/ |
H A D | CSVMCUpdateAll.h | 41 void advanceWalker(Walker_t& thisWalker, bool recompute); 56 void advanceWalker(Walker_t& thisWalker, bool recompute);
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