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Searched refs:d2LogPsi (Results 1 – 6 of 6) sorted by relevance

/dports/science/qmcpack/qmcpack-3.11.0/src/QMCDrivers/WFOpt/
H A DQMCCostFunction.cpp229 delete_iter(d2LogPsi.begin(), d2LogPsi.end()); in getConfigurations()
233 d2LogPsi.resize(nwtot); in getConfigurations()
237 d2LogPsi[i] = new ParticleLaplacian_t(nptcl); in getConfigurations()
287 …p]->evaluateDeltaLog(wRef, saved[LOGPSI_FIXED], saved[LOGPSI_FREE], *dLogPsi[iwg], *d2LogPsi[iwg]); in checkConfigurations()
415 …p]->evaluateDeltaLog(wRef, saved[LOGPSI_FIXED], saved[LOGPSI_FREE], *dLogPsi[iwg], *d2LogPsi[iwg]); in engine_checkConfigurations()
566 wRef.L += *d2LogPsi[iwg]; in correlatedSampling()
H A DQMCCostFunctionBatched.cpp217 delete_iter(d2LogPsi.begin(), d2LogPsi.end()); in getConfigurations()
220 d2LogPsi.resize(numSamples); in getConfigurations()
224 d2LogPsi[i] = new ParticleLaplacian_t(nptcl); in getConfigurations()
420 …s(opt_num_crowds_, evalOptConfig, opt_eval_, samples_per_crowd, opt_batch_size_, dLogPsi, d2LogPsi, in checkConfigurations()
649 …t_num_crowds_, evalOptCorrelated, opt_eval_, samples_per_crowd, opt_batch_size_, dLogPsi, d2LogPsi, in correlatedSampling()
H A DQMCCostFunctionCUDA.cpp198 delete_iter(d2LogPsi.begin(), d2LogPsi.end()); in getConfigurations()
202 d2LogPsi.resize(nwtot, 0); in getConfigurations()
206 d2LogPsi[i] = new ParticleLaplacian_t(nptcl); in getConfigurations()
H A DQMCCostFunctionBase.h317 std::vector<ParticleLaplacian_t*> d2LogPsi; variable
H A DQMCCostFunctionBase.cpp83 delete_iter(d2LogPsi.begin(), d2LogPsi.end()); in ~QMCCostFunctionBase()
/dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/
H A DWaveFunctionComponent.h126 ValueVectorType d2LogPsi; member