norm_psi.h

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#ifndef NORM_PSI_H
#define NORM_PSI_H
 
#include "source_base/module_container/ATen/core/tensor.h" // ct::Tensor
#include "source_basis/module_ao/parallel_orbitals.h"
#include "source_lcao/module_rt/kernels/cublasmp_context.h"
 
#include <complex>
 
namespace module_rt
{
#ifdef __MPI
void norm_psi(const Parallel_Orbitals* pv,
              const int nband,
              const int nlocal,
              const std::complex<double>* Stmp,
              std::complex<double>* psi_k,
              std::ofstream& ofs_running,
              const int print_matrix);
 
void norm_psi_tensor(const Parallel_Orbitals* pv,
                     const int nband,
                     const int nlocal,
                     const ct::Tensor& Stmp,
                     ct::Tensor& psi_k,
                     std::ofstream& ofs_running,
                     const int print_matrix,
                     CublasMpResources& cublas_res);
 
template <typename Device>
void norm_psi_tensor_lapack(const Parallel_Orbitals* pv,
                            const int nband,
                            const int nlocal,
                            const ct::Tensor& Stmp,
                            ct::Tensor& psi_k,
                            std::ofstream& ofs_running,
                            const int print_matrix);
 
#endif // __MPI
} // namespace module_rt
 
#endif