exx_abfs-io.h

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#ifndef EXX_ABFS_IO_H
#define EXX_ABFS_IO_H
 
#include "exx_abfs.h"
 
#include <map>
#include <vector>
#include "../../source_basis/module_ao/ORB_atomic_lm.h"
#include "../../source_base/matrix.h"
#include "../../source_base/element_basis_index.h"
#include "source_cell/klist.h"
#ifdef __MPI
#include "mpi.h"
#endif
 
class LCAO_Orbitals;
 
class Exx_Abfs::IO
{
public:
        
    static std::vector<std::vector<std::vector<Numerical_Orbital_Lm>>> construct_abfs( 
        const LCAO_Orbitals &orbs,
        const std::vector<std::string> &files_abfs,
        const double kmesh_times=1 );               // close dK, keep Kcut  
        
    static std::vector<std::vector<std::vector<Numerical_Orbital_Lm>>> construct_abfs( 
        const std::vector<std::vector<std::vector<Numerical_Orbital_Lm>>> &abfs_pre,    
        const LCAO_Orbitals &orbs,
        const std::vector<std::string> &files_abfs,
        const double kmesh_times=1 );               // close dK, keep Kcut
 
private:
    static std::vector<std::vector<Numerical_Orbital_Lm>> construct_abfs_T(
        const std::string & file_name,
        const int &T,
        const int &nk,
        const double &dk,
        const double &dr_uniform);
};
 
#endif  // EXX_ABFS_IO_H