parallel_k2d.h

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#ifndef PARALLEL_K2D_H
#define PARALLEL_K2D_H
 
#include "source_base/parallel_2d.h"
#include "source_cell/parallel_kpoints.h"
#include "source_hamilt/matrixblock.h"
#ifdef __MPI
#include "mpi.h"
#endif
#include "source_hamilt/hamilt.h"
 
/***
 * This is a class to realize k-points parallelism in LCAO code.
 * It is now designed only to work with 2D Eigenvalue solver parallelism.
 */
 
template <typename TK>
class Parallel_K2D {
  public:
    Parallel_K2D() {}
    ~Parallel_K2D() {}
    void set_para_env(int nks,
                    const int& nw,
                    const int& nb2d,
                    const int& nproc,
                    const int& my_rank,
                    const int& nspin);
 
    void distribute_hsk(hamilt::Hamilt<TK>* pHamilt,
                        const std::vector<int>& ik_kpar,
                        const int& nw);
 
    void unset_para_env();
    void set_kpar(int kpar);
    int get_kpar() { return this->kpar_; }
    int get_my_pool() { return this->MY_POOL; }
    Parallel_Kpoints* get_pKpoints() { return this->Pkpoints; }
    Parallel_2D* get_p2D_global() { return this->P2D_global; }
    Parallel_2D* get_p2D_pool() { return this->P2D_pool; }
 
    std::vector<TK> hk_pool;
    std::vector<TK> sk_pool;
 
#ifdef __MPI
    MPI_Comm POOL_WORLD_K2D;
#endif
 
  private:
    int kpar_ = 0;
 
    int NPROC_IN_POOL;
    int MY_POOL;
    int RANK_IN_POOL;
 
    Parallel_Kpoints* Pkpoints = nullptr;
    Parallel_2D* P2D_global = nullptr;
    Parallel_2D* P2D_pool = nullptr;
};
 
#endif