read_wfc_lcao.h

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#ifndef READ_WFC_LCAO_H
#define READ_WFC_LCAO_H
 
#include "source_base/vector3.h"
#include <complex>
#include <string>
#include <vector>
 
#ifdef __MPI
#include "source_base/module_external/scalapack_connector.h"
#include "source_base/parallel_2d.h"
#endif
 
namespace ModuleIO
{
// only when you know why you need the T, you can write function with template parameter,
// otherwise, you should overload the function for different types
// For example in this case, ONLY wfc support to be std::complex<double> and std::complex<float>,
// not ekb, occ, wk and kvec_c.
/*
template <typename T>
void read_wfc_lcao(const std::string& file, int& ik, ModuleBase::Vector3<double>& kvec_c, int& nbands, int& nbasis,
                      std::vector<std::complex<T>>& lowf, std::vector<double>& ekb, std::vector<double>& occ,
                      double& wk);
 
template <typename T>
void read_wfc_lcao(const std::string& file, int& ik, ModuleBase::Vector3<double>& kvec_c, int& nbands, int& nbasis,
                      std::vector<T>& lowf, std::vector<double>& ekb, std::vector<double>& occ, double& wk);
*/
// the two functions above will return nbands, nbasis, lowf, ekb, occ and wk.
// the lowf is actually lowf_glb, which means the global matrix (ScaLAPACK convention), need to distribute
// to the local matrix (2D-block-cyclic parallel distribution) in the following function.
 
//#ifdef __MPI
/*
template <typename T>
void restart_from_file(const std::string& out_dir, // hard-code the file name to be LOWF_K_*.txt?
                       const Parallel_2D& p2d, const int& nks, int& nbands, int& nbasis, std::vector<T>& lowf_loc,
                       std::vector<double>& ekb, std::vector<double>& occ,
                       std::vector<ModuleBase::Vector3<double>>& kvec_c, std::vector<double>& wk);
#endif
 
// serial version, can always present
template <typename T>
void restart_from_file(const std::string& out_dir, // hard-code the file name to be LOWF_K_*.txt?
                       const int& nks, int& nbands, int& nbasis, std::vector<T>& lowf, std::vector<double>& ekb,
                       std::vector<double>& occ, std::vector<ModuleBase::Vector3<double>>& kvec_c,
                       std::vector<double>& wk);
*/
}
#endif