mirror of https://github.com/QMCPACK/qmcpack.git
remove size fun from KP3Index
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parent
b7f73d9c84
commit
f3c3d45731
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@ -318,10 +318,10 @@ public:
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bool addEXX = true)
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{
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int nkpts = nopk.size();
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assert(E.size(1) >= 3);
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assert(std::get<1>(E.sizes()) >= 3);
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assert(nd >= 0 && nd < nelpk.size());
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int nwalk = Gc.size(1);
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int nwalk = std::get<1>(Gc.sizes());
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int nspin = (walker_type == COLLINEAR ? 2 : 1);
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int npol = (walker_type == NONCOLLINEAR ? 2 : 1);
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int nmo_tot = std::accumulate(nopk.begin(), nopk.end(), 0);
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@ -688,10 +688,10 @@ public:
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// need to finish modifications for distribution of Q
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int nkpts = nopk.size();
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assert(E.size(1) >= 3);
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assert(std::get<1>(E.sizes()) >= 3);
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assert(nd >= 0 && nd < nelpk.size());
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int nwalk = Gc.size(1);
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int nwalk = std::get<1>(Gc.sizes());
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int nspin = (walker_type == COLLINEAR ? 2 : 1);
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int nmo_tot = std::accumulate(nopk.begin(), nopk.end(), 0);
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int nmo_max = *std::max_element(nopk.begin(), nopk.end());
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@ -1664,7 +1664,7 @@ private:
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{
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int nspin = (walker_type == COLLINEAR ? 2 : 1);
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int npol = (walker_type == NONCOLLINEAR ? 2 : 1);
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int nwalk = GKaKj.size(1);
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int nwalk = std::get<1>(GKaKj.sizes());
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int nkpts = nopk.size();
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assert(GKaKj.num_elements() == (nocca_tot + noccb_tot) * npol * nmo_tot * nwalk);
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assert(GKKaj.num_elements() == nspin * nkpts * nkpts * npol * akmax * nwalk);
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