orb_io.h File Reference

#include <vector>
#include <fstream>
#include <string>

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Namespaces
namespace	ModuleIO
	This class has two functions: restart psi from the previous calculation, and write psi to the disk.

Functions
void	ModuleIO::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, it is better to use std::vector to replace the raw pointer.
void	ModuleIO::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)