17 const std::string &global_out_dir,
21 const std::vector<int> &ik2iktot,
22 const std::vector<int> &isk,
25 const bool gamma_only,
26 const bool out_app_flag,
28 std::ofstream &ofs_running);
47 const std::string& file_name,
50 const bool reduce =
true);
This class packs the basic information of 2D-block-cyclic parallel distribution of an arbitrary matri...
Definition parallel_2d.h:12
Definition parallel_orbitals.h:9
#define T
Definition exp.cpp:237
This class has two functions: restart psi from the previous calculation, and write psi to the disk.
Definition cal_dos.h:9
void save_mat(const int istep, const T *mat, const int dim, const bool bit, const int precision, const bool tri, const bool app, const std::string &file_name, const Parallel_2D &pv, const int drank, const bool reduce=true)
save a square matrix, such as H(k) and S(k)
Definition write_HS.hpp:99
void write_hsk(const std::string &global_out_dir, const int nspin, const int nks, const int nkstot, const std::vector< int > &ik2iktot, const std::vector< int > &isk, hamilt::Hamilt< T > *p_hamilt, const Parallel_Orbitals &pv, const bool gamma_only, const bool out_app_flag, const int istep, std::ofstream &ofs_running)
Definition write_HS.hpp:12