5#include <RI/global/Tensor.h>
10 using TC = std::array<int, 3>;
11 using TAC = std::pair<int, TC>;
14 template<
typename Tdata>
16 const int nspin,
const int nbasis,
17 std::vector<std::map<
int, std::map<
TAC, RI::Tensor<Tdata>>>>& Hexxs);
20 template<
typename Tdata>
22 std::vector<std::map<
int, std::map<
TAC, RI::Tensor<Tdata>>>>& Hexxs);
25 template<
typename Tdata>
27 const std::map<
int, std::map<
TAC, RI::Tensor<Tdata>>>& Hexxs);
31 template<
typename Tdata>
32 std::map<Abfs::Vector3_Order<int>, std::map<size_t, std::map<size_t, Tdata>>>
34 const std::vector<std::map<
int, std::map<
TAC, RI::Tensor<Tdata>>>>& Hexxs,
This class has two functions: restart psi from the previous calculation, and write psi to the disk.
Definition cal_dos.h:9
std::pair< int, TC > TAC
Definition restart_exx_csr.h:11
void write_Hexxs_csr(const std::string &file_name, const UnitCell &ucell, const std::map< int, std::map< TAC, RI::Tensor< Tdata > > > &Hexxs)
write Hexxs in CSR format
void read_Hexxs_cereal(const std::string &file_name, std::vector< std::map< int, std::map< TAC, RI::Tensor< Tdata > > > > &Hexxs)
read Hexxs in cereal format
Definition restart_exx_csr.hpp:64
void read_Hexxs_csr(const std::string &file_name, const UnitCell &ucell, const int nspin, const int nbasis, std::vector< std::map< int, std::map< TAC, RI::Tensor< Tdata > > > > &Hexxs)
read Hexxs in CSR format
Definition restart_exx_csr.hpp:13
std::map< Abfs::Vector3_Order< int >, std::map< size_t, std::map< size_t, Tdata > > > calculate_RI_Tensor_sparse(const double &sparse_threshold, const std::vector< std::map< int, std::map< TAC, RI::Tensor< Tdata > > > > &Hexxs, const UnitCell &ucell)
std::array< int, 3 > TC
Definition restart_exx_csr.h:10