25 std::vector<int>& nzeta,
26 std::vector<std::vector<double>>& radials,
30 const std::string& elem,
34 const std::vector<int>& nzeta,
35 const std::vector<std::vector<double>>& radials,
This class has two functions: restart psi from the previous calculation, and write psi to the disk.
Definition cal_dos.h:9
void write_abacus_orb(std::ofstream &ofs, const std::string &elem, const double &ecut, const int nr, const double dr, const std::vector< int > &nzeta, const std::vector< std::vector< double > > &radials, const int rank=0)
Definition orb_io.cpp:121
void read_abacus_orb(std::ifstream &ifs, std::string &elem, double &ecut, int &nr, double &dr, std::vector< int > &nzeta, std::vector< std::vector< double > > &radials, const int rank=0)
static version of read_abacus_orb. A delete-new operation may cause the memory leak,...
Definition orb_io.cpp:7