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Remove DiagH of lcao PEXSI (#5259)
* Remove Base DiagH class of DiagoLapack * Remove DiagH Base class of DiagoScalapack and lcao test * Remove DiagH Base class of DiagoCusolver and lcao_cusolver_test * Update docs in hsolver * Remove Base DiagH pointer in diago_lapack_test * Remove Base DiagH of DiagoElpa * Remove Base DiagH of DiagoElpaNative * Remove Base DiagH of DiagoCusolverMP * Remove Base DiagH of DiagoPexsi --------- Co-authored-by: Haozhi Han <[email protected]>
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source/module_hsolver/diago_cusolvermp.h

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@@ -8,7 +8,7 @@
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#include "module_hsolver/kernels/cuda/diag_cusolvermp.cuh"
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namespace hsolver
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{
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// DiagoCusolverMP class, derived from DiagH, for diagonalization using CUSOLVERMP
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// DiagoCusolverMP class, for diagonalization using CUSOLVERMP
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template <typename T>
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class DiagoCusolverMP
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{

source/module_hsolver/diago_pexsi.h

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@@ -12,15 +12,15 @@ namespace hsolver
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{
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template <typename T>
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class DiagoPexsi : public DiagH<T>
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class DiagoPexsi
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{
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private:
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using Real = typename GetTypeReal<T>::type;
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static std::vector<double> mu_buffer;
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public:
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DiagoPexsi(const Parallel_Orbitals* ParaV_in);
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void diag(hamilt::Hamilt<T>* phm_in, psi::Psi<T>& psi, Real* eigenvalue_in) override;
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void diag(hamilt::Hamilt<T>* phm_in, psi::Psi<T>& psi, Real* eigenvalue_in);
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const Parallel_Orbitals* ParaV;
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std::vector<T*> DM;
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std::vector<T*> EDM;

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