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Searched refs:d2psi_v_list (Results 1 – 10 of 10) sorted by relevance

/dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/BsplineFactory/
H A DBsplineSet.h159 RefVector<ValueVector_t> d2psi_v_list; in mw_evaluate_notranspose() local
165 d2psi_v_list.reserve(nw); in mw_evaluate_notranspose()
174 d2psi_v_list.clear(); in mw_evaluate_notranspose()
183 d2psi_v_list.push_back(mw_d2psi_v.back()); in mw_evaluate_notranspose()
186 mw_evaluateVGL(spo_list, P_list, iat, psi_v_list, dpsi_v_list, d2psi_v_list); in mw_evaluate_notranspose()
H A DSplineC2COMPTarget.h103 const RefVector<ValueVector_t>& d2psi_v_list) const;
276 const RefVector<ValueVector_t>& d2psi_v_list) const override;
H A DSplineC2ROMPTarget.h105 const RefVector<ValueVector_t>& d2psi_v_list) const;
284 const RefVector<ValueVector_t>& d2psi_v_list) const override;
H A DSplineC2COMPTarget.cpp571 const RefVector<ValueVector_t>& d2psi_v_list) const in evaluateVGLMultiPos()
640 ValueVector_t& d2psi_v(d2psi_v_list[iw]); in evaluateVGLMultiPos()
658 const RefVector<ValueVector_t>& d2psi_v_list) const in mw_evaluateVGL()
691 d2psi_v_list); in mw_evaluateVGL()
1261 RefVector<ValueVector_t> d2psi_v_list; in evaluate_notranspose() local
1268 d2psi_v_list.reserve(block_size); in evaluate_notranspose()
1279 d2psi_v_list.clear(); in evaluate_notranspose()
1299 d2psi_v_list.push_back(multi_d2psi_v[ipos]); in evaluate_notranspose()
1302 …LMultiPos(multi_pos_copy, offload_scratch, results_scratch, psi_v_list, dpsi_v_list, d2psi_v_list); in evaluate_notranspose()
H A DSplineC2ROMPTarget.cpp713 const RefVector<ValueVector_t>& d2psi_v_list) const in evaluateVGLMultiPos()
783 ValueVector_t& d2psi_v(d2psi_v_list[iw]); in evaluateVGLMultiPos()
801 const RefVector<ValueVector_t>& d2psi_v_list) const in mw_evaluateVGL()
834 d2psi_v_list); in mw_evaluateVGL()
1757 RefVector<ValueVector_t> d2psi_v_list; in evaluate_notranspose() local
1764 d2psi_v_list.reserve(block_size); in evaluate_notranspose()
1775 d2psi_v_list.clear(); in evaluate_notranspose()
1795 d2psi_v_list.push_back(multi_d2psi_v[ipos]); in evaluate_notranspose()
1798 …LMultiPos(multi_pos_copy, offload_scratch, results_scratch, psi_v_list, dpsi_v_list, d2psi_v_list); in evaluate_notranspose()
/dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/tests/
H A Dtest_hybridrep.cpp357 RefVector<SPOSet::ValueVector_t> d2psi_v_list; variable
363 d2psi_v_list.push_back(d2psi);
364 d2psi_v_list.push_back(d2psi_2);
366 spo->mw_evaluateVGL(spo_list, P_list, 0, psi_v_list, dpsi_v_list, d2psi_v_list);
382 REQUIRE(std::real(d2psi_v_list[1].get()[0]) == Approx(-1.3757134676));
383 REQUIRE(std::real(d2psi_v_list[1].get()[1]) == Approx(-2.4803137779));
399 REQUIRE(std::imag(d2psi_v_list[1].get()[0]) == Approx(-1.3757134676));
400 REQUIRE(std::imag(d2psi_v_list[1].get()[1]) == Approx(-2.4919104576));
H A Dtest_einset.cpp382 RefVector<SPOSet::ValueVector_t> d2psi_v_list; variable
388 d2psi_v_list.push_back(d2psi);
389 d2psi_v_list.push_back(d2psi_2);
391 spo->mw_evaluateVGL(spo_list, p_list, 0, psi_v_list, dpsi_v_list, d2psi_v_list);
407 REQUIRE(std::real(d2psi_v_list[1].get()[0]) == Approx(-1.3757134676));
408 REQUIRE(std::real(d2psi_v_list[1].get()[1]) == Approx(-2.4803137779));
424 REQUIRE(std::imag(d2psi_v_list[1].get()[0]) == Approx(-1.3757134676));
425 REQUIRE(std::imag(d2psi_v_list[1].get()[1]) == Approx(-2.4919104576));
/dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/
H A DSPOSet.cpp78 const RefVector<ValueVector_t>& d2psi_v_list) const in mw_evaluateVGL()
83 spo_list[iw].evaluateVGL(P_list[iw], iat, psi_v_list[iw], dpsi_v_list[iw], d2psi_v_list[iw]); in mw_evaluateVGL()
H A DSPOSet.h265 const RefVector<ValueVector_t>& d2psi_v_list) const;
/dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/Fermion/
H A DDiracDeterminant.cpp212 RefVector<ValueVector_t> d2psi_v_list; in mw_ratioGrad() local
213 d2psi_v_list.reserve(wfc_list.size()); in mw_ratioGrad()
221 d2psi_v_list.push_back(det.d2psiV); in mw_ratioGrad()
224 Phi->mw_evaluateVGL(phi_list, p_list, iat, psi_v_list, dpsi_v_list, d2psi_v_list); in mw_ratioGrad()