output_mat_sparse.h File Reference

#include "source_basis/module_ao/parallel_orbitals.h"
#include "source_basis/module_nao/two_center_bundle.h"
#include "source_cell/klist.h"
#include "source_hamilt/hamilt.h"
#include "source_lcao/module_gint/gint_k.h"

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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_mat_sparse (const bool &out_mat_hsR, const bool &out_mat_dh, const bool &out_mat_ds, const bool &out_mat_t, const bool &out_mat_r, const int &istep, const ModuleBase::matrix &v_eff, const Parallel_Orbitals &pv, Gint_k &gint_k, const TwoCenterBundle &two_center_bundle, const LCAO_Orbitals &orb, UnitCell &ucell, const Grid_Driver &grid, const K_Vectors &kv, hamilt::Hamilt< T > *p_ham)
	the output interface to write the sparse matrix of H, S, T, and r