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Remove DiagH of lcao PEXSI #5259

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Merged
merged 11 commits into from
Oct 17, 2024
Merged

Remove DiagH of lcao PEXSI #5259

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f663d1f
Remove Base DiagH class of DiagoLapack
Cstandardlib Oct 15, 2024
47557b7
Remove DiagH Base class of DiagoScalapack and lcao test
Cstandardlib Oct 15, 2024
e52ff4d
Remove DiagH Base class of DiagoCusolver and lcao_cusolver_test
Cstandardlib Oct 16, 2024
b123975
Update docs in hsolver
Cstandardlib Oct 16, 2024
0e16e63
Remove Base DiagH pointer in diago_lapack_test
Cstandardlib Oct 16, 2024
15fdb28
Remove Base DiagH of DiagoElpa
Cstandardlib Oct 17, 2024
43cb5fd
Remove Base DiagH of DiagoElpaNative
Cstandardlib Oct 17, 2024
f45e1e5
Remove Base DiagH of DiagoCusolverMP
Cstandardlib Oct 17, 2024
a443202
Merge branch 'develop' into remove-diagh-lcao
haozhihan Oct 17, 2024
2b81a00
Remove Base DiagH of DiagoPexsi
Cstandardlib Oct 17, 2024
da2f9e7
Merge branch 'develop' into remove-diagh-lcao
Cstandardlib Oct 17, 2024
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2 changes: 1 addition & 1 deletion source/module_hsolver/diago_cusolvermp.h
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Original file line number Diff line number Diff line change
Expand Up @@ -8,7 +8,7 @@
#include "module_hsolver/kernels/cuda/diag_cusolvermp.cuh"
namespace hsolver
{
// DiagoCusolverMP class, derived from DiagH, for diagonalization using CUSOLVERMP
// DiagoCusolverMP class, for diagonalization using CUSOLVERMP
template <typename T>
class DiagoCusolverMP
{
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4 changes: 2 additions & 2 deletions source/module_hsolver/diago_pexsi.h
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Expand Up @@ -12,15 +12,15 @@ namespace hsolver
{

template <typename T>
class DiagoPexsi : public DiagH<T>
class DiagoPexsi
{
private:
using Real = typename GetTypeReal<T>::type;
static std::vector<double> mu_buffer;

public:
DiagoPexsi(const Parallel_Orbitals* ParaV_in);
void diag(hamilt::Hamilt<T>* phm_in, psi::Psi<T>& psi, Real* eigenvalue_in) override;
void diag(hamilt::Hamilt<T>* phm_in, psi::Psi<T>& psi, Real* eigenvalue_in);
const Parallel_Orbitals* ParaV;
std::vector<T*> DM;
std::vector<T*> EDM;
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