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solve edm conflict
2 parents c4d309d + 5020b40 commit 686be13

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source/source_lcao/edm.cpp

Lines changed: 3 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -31,7 +31,7 @@ elecstate::DensityMatrix<double, double> Force_LCAO<double>::cal_edm(const elecs
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#ifdef __PEXSI
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if (PARAM.inp.ks_solver == "pexsi")
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{
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auto pes = dynamic_cast<const elecstate::ElecStateLCAO<double>*>(pelec);
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// auto pes = dynamic_cast<const elecstate::ElecStateLCAO<double>*>(pelec);
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for (int ik = 0; ik < nspin; ik++)
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{
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edm.set_DMK_pointer(ik, dm.pexsi_EDM[ik]);
@@ -47,7 +47,8 @@ elecstate::DensityMatrix<double, double> Force_LCAO<double>::cal_edm(const elecs
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}
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template<>
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elecstate::DensityMatrix<std::complex<double>, double> Force_LCAO<std::complex<double>>::cal_edm(const elecstate::ElecState* pelec,
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elecstate::DensityMatrix<std::complex<double>, double> Force_LCAO<std::complex<double>>::cal_edm(
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const elecstate::ElecState* pelec,
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const psi::Psi<std::complex<double>>& psi,
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const elecstate::DensityMatrix<std::complex<double>, double>& dm,
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const K_Vectors& kv,

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