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Cstandardlibhaozhihan
Cstandardlib
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haozhihan
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Remove DiagH class in hsolver (#5307)
* Remove diagh Pointer in lcao solver tests * Remove const_nums in diagh.h * Remove diago_david dependency on diagh.h * Remove diago_dav_subspace dependency on diagh.h * Remove diago_cg dependency on diagh.h * Remove diago_bpcg dependency on diagh.h * Remove diago_lapack&scalapack dependency on diagh.h * Remove diago_lapack dependency on diagh.h * Add hamilt.h to diago_lapack * Remove diago_elpa dependency on diagh.h * Remove diago_cusolver dependency on diagh.h * Remove diago_pexsi dependency on diagh.h * Remove diago_cusolvermp&elpa_native dependency on diagh.h * Remove hsolver_lcaopw dependency on diagh.h * Remove hsolver dependency on diagh.h --------- Co-authored-by: Haozhi Han <[email protected]>
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-28
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‎source/module_hsolver/diagh.h‎

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#include "mpi.h"
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#endif
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// template <typename T>
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// struct const_nums
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// {
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// const_nums();
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// T zero;
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// T one;
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// T neg_one;
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// };
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namespace hsolver
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{
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‎source/module_hsolver/diago_bpcg.h‎

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#ifndef DIAGO_BPCG_H_
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#define DIAGO_BPCG_H_
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#include "diagh.h"
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#include "module_base/complexmatrix.h"
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#include "module_hamilt_general/hamilt.h"
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#include "module_hamilt_pw/hamilt_pwdft/structure_factor.h"
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#include "module_base/module_device/types.h"

‎source/module_hsolver/diago_cg.cpp‎

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#include <module_base/memory.h>
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#include <module_base/parallel_reduce.h>
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#include <module_base/timer.h>
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#include <module_base/tool_title.h> // ModuleBase::TITLE
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#include <module_base/global_function.h> // ModuleBase::GlobalFunc::NOTE
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#include <module_hsolver/diago_cg.h>
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using namespace hsolver;

‎source/module_hsolver/diago_cg.h‎

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#include <functional>
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#include <module_base/macros.h>
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#include <module_hsolver/diagh.h>
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#include <module_hsolver/kernels/math_kernel_op.h>
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#include <ATen/core/tensor.h>

‎source/module_hsolver/diago_cusolver.h‎

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#ifndef DIAGOCUSOLVER_H
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#define DIAGOCUSOLVER_H
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#include "diagh.h"
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#include "module_base/macros.h" // GetRealType
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#include "module_hamilt_general/hamilt.h"
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#include "module_basis/module_ao/parallel_orbitals.h"
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#include "module_hsolver/kernels/cuda/diag_cusolver.cuh"
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// #include "module_hsolver/kernels/cuda/dngvd_op.cu"

‎source/module_hsolver/diago_cusolvermp.h‎

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#define DIAGO_CUSOLVERMPH
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#ifdef __CUSOLVERMP
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#include "diagh.h"
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#include "module_hamilt_general/hamilt.h"
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#include "module_base/macros.h"
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#include "module_basis/module_ao/parallel_orbitals.h"
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#include "module_hsolver/kernels/cuda/diag_cusolvermp.cuh"

‎source/module_hsolver/diago_dav_subspace.h‎

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#ifndef DIAGO_NEW_DAV_H
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#define DIAGO_NEW_DAV_H
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#include "diagh.h"
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#include "module_base/macros.h" // GetRealType
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#include "module_base/module_device/device.h" // base_device
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#include "module_base/module_device/memory_op.h"// base_device::memory"
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#include "module_hsolver/diag_comm_info.h"
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#include "module_hsolver/diag_const_nums.h"
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#include <vector>
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#include <functional>
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namespace hsolver

‎source/module_hsolver/diago_david.cpp‎

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#include "diago_david.h"
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#include "module_base/timer.h"
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#include "module_base/timer.h" // ModuleBase::timer::tick
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#include "module_base/tool_title.h" // ModuleBase::TITLE
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#include "module_base/module_device/device.h"
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#include "module_hsolver/kernels/dngvd_op.h"

‎source/module_hsolver/diago_david.h‎

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#ifndef DIAGODAVID_H
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#define DIAGODAVID_H
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#include "diagh.h"
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#include "module_base/macros.h" // GetRealType
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#include "module_base/module_device/device.h" // base_device
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#include "module_base/module_device/memory_op.h"// base_device::memory
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#include "module_hsolver/diag_comm_info.h"
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#include <vector>
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#include <functional>
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namespace hsolver
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{
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@@ -199,7 +205,7 @@ class DiagoDavid
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using syncmem_h2d_op = base_device::memory::synchronize_memory_op<T, Device, base_device::DEVICE_CPU>;
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using syncmem_d2h_op = base_device::memory::synchronize_memory_op<T, base_device::DEVICE_CPU, Device>;
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using hpsi_info = typename hamilt::Operator<T, Device>::hpsi_info;
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// using hpsi_info = typename hamilt::Operator<T, Device>::hpsi_info; // Dependence of hpsi removed
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const T *one = nullptr, *zero = nullptr, *neg_one = nullptr;
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const T one_ = static_cast<T>(1.0), zero_ = static_cast<T>(0.0), neg_one_ = static_cast<T>(-1.0);

‎source/module_hsolver/diago_elpa.h‎

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#ifndef DIAGOELPA_H
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#define DIAGOELPA_H
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#include "diagh.h"
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#include "module_base/macros.h" // GetRealType
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#include "module_hamilt_general/hamilt.h"
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#include "module_basis/module_ao/parallel_orbitals.h"
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namespace hsolver

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