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Searched refs:wfc_list (Results 1 – 9 of 9) sorted by relevance

/dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/
H A DWaveFunctionComponent.cpp46 assert(this == &wfc_list.getLeader()); in mw_evaluateLog()
64 assert(this == &wfc_list.getLeader()); in mw_recompute()
68 wfc_list[iw].recompute(p_list[iw]); in mw_recompute()
75 assert(this == &wfc_list.getLeader()); in mw_prepareGroup()
86 assert(this == &wfc_list.getLeader()); in mw_evalGrad()
97 assert(this == &wfc_list.getLeader()); in mw_calcRatio()
116 assert(this == &wfc_list.getLeader()); in mw_ratioGrad()
128 assert(this == &wfc_list.getLeader()); in mw_accept_rejectMove()
134 wfc_list[iw].restore(iat); in mw_accept_rejectMove()
139 assert(this == &wfc_list.getLeader()); in mw_completeUpdates()
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H A DTrialWaveFunction.cpp167 const auto wfc_list(extractWFCRefList(wf_list, i)); in mw_evaluateLog() local
212 const auto wfc_list(extractWFCRefList(wf_list, i)); in mw_recompute() local
310 const auto wfc_list(extractWFCRefList(wf_list, i)); in mw_evaluateDeltaLogSetup() local
502 const auto wfc_list(extractWFCRefList(wf_list, i)); in mw_prepareGroup() local
551 const auto wfc_list(extractWFCRefList(wf_list, i)); in mw_evalGrad() local
764 const auto wfc_list(extractWFCRefList(wf_list, i)); in mw_accept_rejectMove() local
795 const auto wfc_list(extractWFCRefList(wf_list, i)); in mw_completeUpdates() local
850 const auto wfc_list(extractWFCRefList(wf_list, i)); in mw_evaluateGL() local
1208 wfc_list.reserve(wf_list.size()); in extractWFCRefList()
1210 wfc_list.push_back(*wf.Z[id]); in extractWFCRefList()
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H A DWaveFunctionComponent.h194 virtual void mw_evaluateLog(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list,
204 virtual void mw_recompute(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list,
228 virtual void mw_prepareGroup(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list,
257 virtual void mw_evalGrad(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list,
321 virtual void mw_ratioGrad(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list,
341 virtual void mw_accept_rejectMove(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list,
354 virtual void mw_completeUpdates(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list) const;
378 virtual void mw_calcRatio(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list,
402 virtual void mw_evaluateGL(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list,
525 virtual void mw_evaluateRatios(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list,
/dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/Fermion/
H A DDiracDeterminantBatched.cpp62 const auto nw = wfc_list.size(); in mw_invertPsiM()
122 assert(this == &wfc_list.getLeader()); in mw_evalGrad()
126 const int nw = wfc_list.size(); in mw_evalGrad()
178 assert(this == &wfc_list.getLeader()); in mw_ratioGrad()
189 phi_list.reserve(wfc_list.size()); in mw_ratioGrad()
260 const int nw = wfc_list.size(); in mw_accept_rejectMove()
328 const auto nw = wfc_list.size(); in mw_completeUpdates()
411 const auto nw = wfc_list.size(); in mw_evaluateGL()
544 phi_list.reserve(wfc_list.size()); in mw_calcRatio()
600 const size_t nw = wfc_list.size(); in mw_evaluateRatios()
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H A DSlaterDet.h85 virtual void mw_recompute(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list,
140 virtual void mw_evalGrad(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list, in mw_evalGrad() argument
188 for (int iw = 0; iw < wfc_list.size(); iw++)
190 wfc_list[iw].LogValue = czero;
194 const auto Det_list(extract_DetRef_list(wfc_list, i));
199 for (int iw = 0; iw < wfc_list.size(); iw++)
201 wfc_list[iw].LogValue += Det_list[iw].LogValue;
214 Dets[i]->mw_completeUpdates(extract_DetRef_list(wfc_list, i)); in mw_completeUpdates()
373 const RefVectorWithLeader<WaveFunctionComponent>& wfc_list, in extract_DetRef_list() argument
377 Det_list.reserve(wfc_list.size()); in extract_DetRef_list()
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H A DSlaterDet.cpp99 void SlaterDet::mw_ratioGrad(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list, in mw_ratioGrad() argument
132 for (WaveFunctionComponent& wfc : wfc_list) in mw_evaluateLog()
137 const auto Det_list(extract_DetRef_list(wfc_list, i)); in mw_evaluateLog()
139 for (int iw = 0; iw < wfc_list.size(); iw++) in mw_evaluateLog()
140 wfc_list[iw].LogValue += Det_list[iw].LogValue; in mw_evaluateLog()
163 for (WaveFunctionComponent& wfc : wfc_list) in mw_evaluateGL()
168 const auto Det_list(extract_DetRef_list(wfc_list, i)); in mw_evaluateGL()
170 for (int iw = 0; iw < wfc_list.size(); iw++) in mw_evaluateGL()
171 wfc_list[iw].LogValue += Det_list[iw].LogValue; in mw_evaluateGL()
181 void SlaterDet::mw_recompute(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list, in mw_recompute() argument
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H A DDiracDeterminant.h99 void mw_evaluateRatios(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list,
107 void mw_ratioGrad(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list,
129 void mw_accept_rejectMove(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list,
135 for (int iw = 0; iw < wfc_list.size(); iw++)
137 wfc_list[iw].acceptMove(p_list[iw], iat, safe_to_delay);
139 wfc_list[iw].restore(iat);
144 void mw_completeUpdates(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list) const override in mw_completeUpdates() argument
146 for (int iw = 0; iw < wfc_list.size(); iw++) in mw_completeUpdates()
147 wfc_list[iw].completeUpdates(); in mw_completeUpdates()
H A DDiracDeterminantBatched.h112 void mw_calcRatio(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list,
121 void mw_evaluateRatios(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list,
127 void mw_ratioGrad(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list,
135 void mw_evalGrad(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list,
152 void mw_accept_rejectMove(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list,
164 …void mw_completeUpdates(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list) const override;
177 void mw_evaluateLog(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list,
189 void mw_evaluateGL(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list,
256 static void mw_invertPsiM(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list,
259 void mw_recompute(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list,
H A DDiracDeterminant.cpp198 …DiracDeterminant<DU_TYPE>::mw_ratioGrad(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list, in mw_ratioGrad() argument
207 phi_list.reserve(wfc_list.size()); in mw_ratioGrad()
209 psi_v_list.reserve(wfc_list.size()); in mw_ratioGrad()
211 dpsi_v_list.reserve(wfc_list.size()); in mw_ratioGrad()
213 d2psi_v_list.reserve(wfc_list.size()); in mw_ratioGrad()
215 for (WaveFunctionComponent& wfc : wfc_list) in mw_ratioGrad()
227 for (int iw = 0; iw < wfc_list.size(); iw++) in mw_ratioGrad()
228 …ratios[iw] = wfc_list.getCastedElement<DiracDeterminant<DU_TYPE>>(iw).ratioGrad_compute(iat, grad_… in mw_ratioGrad()
416 …Determinant<DU_TYPE>::mw_evaluateRatios(const RefVectorWithLeader<WaveFunctionComponent>& wfc_list, in mw_evaluateRatios() argument
420 const size_t nw = wfc_list.size(); in mw_evaluateRatios()
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