fs_kin_tools.h

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#ifndef FS_KIN_TOOLS_H
#define FS_KIN_TOOLS_H
#include "source_base/module_device/device.h"
#include "source_basis/module_pw/pw_basis_k.h"
#include "source_cell/klist.h"
#include "source_cell/unitcell.h"
#include "source_cell/module_symmetry/symmetry.h"
#include "source_pw/module_pwdft/kernels/stress_op.h"
 
#include <complex>
namespace hamilt
{
template <typename FPTYPE, typename Device>
class FS_Kin_tools
{
  public:
    FS_Kin_tools(const UnitCell& ucell_in,
                 const K_Vectors* kv_in,
                 const ModulePW::PW_Basis_K* wfc_basis_in,
                 const ModuleBase::matrix& wg);
    ~FS_Kin_tools();
 
    void cal_gk(const int& ik);
 
    void cal_stress_kin(const int& ik, const int& npm, const bool& occ, const std::complex<FPTYPE>* psi);
 
    void symmetrize_stress(ModuleSymmetry::Symmetry* p_symm, ModuleBase::matrix& sigma);
 
  protected:
    Device* ctx = {};
    base_device::DEVICE_CPU* cpu_ctx = {};
    base_device::AbacusDevice_t device = {};
    std::vector<FPTYPE> gk3_;
    std::vector<FPTYPE*> gk;
    std::vector<FPTYPE> kfac;
    std::vector<FPTYPE> s_kin;
    FPTYPE* d_gk = nullptr;
    FPTYPE* d_kfac = nullptr;
    const FPTYPE* wg = nullptr;
    const FPTYPE* wk = nullptr;
    const ModulePW::PW_Basis_K* wfc_basis_ = nullptr;
    const UnitCell& ucell_;
    const int nksbands_;
 
 
  private:
    using resmem_var_op = base_device::memory::resize_memory_op<FPTYPE, Device>;
    using setmem_var_op = base_device::memory::set_memory_op<FPTYPE, Device>;
    using delmem_var_op = base_device::memory::delete_memory_op<FPTYPE, Device>;
    using syncmem_var_h2d_op = base_device::memory::synchronize_memory_op<FPTYPE, Device, base_device::DEVICE_CPU>;
    using syncmem_var_d2h_op = base_device::memory::synchronize_memory_op<FPTYPE, base_device::DEVICE_CPU, Device>;
    using cal_multi_dot_op = hamilt::cal_multi_dot_op<FPTYPE, Device>;
};
 
} // namespace hamilt
 
#endif