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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
single_R_io.h File Reference
#include "source_basis/module_ao/parallel_orbitals.h"
#include <map>
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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

template<typename T >
void ModuleIO::output_single_R (std::ofstream &ofs, const std::map< size_t, std::map< size_t, T > > &XR, const double &sparse_threshold, const bool &binary, const Parallel_Orbitals &pv, const bool &reduce=true)