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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
io_npz.h File Reference
#include "source_basis/module_ao/parallel_orbitals.h"
#include "source_cell/unitcell.h"
#include "source_lcao/module_hcontainer/hcontainer.h"
#include <string>
#include <vector>
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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_mat_npz (const Parallel_Orbitals *paraV, const UnitCell &ucell, std::string &zipname, hamilt::HContainer< double > &hR)
 
void ModuleIO::output_mat_npz (const UnitCell &ucell, std::string &zipname, const hamilt::HContainer< double > &hR)