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move data to SpinorSetMultiWalkerResource

This commit is contained in:
Cody Melton 2022-09-09 14:10:03 -06:00
parent 1fa55ea2ba
commit 3d808309d1
1 changed files with 15 additions and 3 deletions
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18
src/QMCWaveFunctions/SpinorSet.cpp
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@ -20,6 +20,9 @@ struct SpinorSet::SpinorSetMultiWalkerResource : public Resource
SpinorSetMultiWalkerResource() : Resource("SpinorSet") {}
SpinorSetMultiWalkerResource(const SpinorSetMultiWalkerResource&) : SpinorSetMultiWalkerResource() {}
Resource* makeClone() const override { return new SpinorSetMultiWalkerResource(*this); }
OffloadMWVGLArray up_phi_vgl_v, dn_phi_vgl_v;
std::vector<ValueType> up_ratios, dn_ratios;
std::vector<GradType> up_grads, dn_grads;
};
SpinorSet::SpinorSet(const std::string& my_name) : SPOSet(my_name), spo_up(nullptr), spo_dn(nullptr) {}
@ -229,11 +232,20 @@ void SpinorSet::mw_evaluateVGLandDetRatioGradsWithSpin(const RefVectorWithLeader
const size_t nw = spo_list.size();
const size_t norb_requested = phi_vgl_v.size(2);
OffloadMWVGLArray up_phi_vgl_v, dn_phi_vgl_v;
auto& mw_res = *spo_leader.mw_res_;
auto& up_phi_vgl_v = mw_res.up_phi_vgl_v;
auto& dn_phi_vgl_v = mw_res.dn_phi_vgl_v;
auto& up_ratios = mw_res.up_ratios;
auto& dn_ratios = mw_res.dn_ratios;
auto& up_grads = mw_res.up_grads;
auto& dn_grads = mw_res.dn_grads;
up_phi_vgl_v.resize(DIM_VGL, nw, norb_requested);
dn_phi_vgl_v.resize(DIM_VGL, nw, norb_requested);
std::vector<ValueType> up_ratios(nw), dn_ratios(nw);
std::vector<GradType> up_grads(nw), dn_grads(nw);
up_ratios.resize(nw);
dn_ratios.resize(nw);
up_grads.resize(nw);
dn_grads.resize(nw);
auto [up_spo_list, dn_spo_list] = extractSpinComponentRefList(spo_list);
auto& up_spo_leader = up_spo_list.getLeader();