deepks_iterate.h File Reference

#include "source_io/module_parameter/parameter.h"
#include "source_base/complexmatrix.h"
#include "source_base/intarray.h"
#include "source_base/matrix.h"
#include "source_base/timer.h"
#include "source_base/vector3.h"
#include "source_basis/module_ao/ORB_read.h"
#include "source_basis/module_ao/parallel_orbitals.h"
#include "source_cell/module_neighbor/sltk_grid_driver.h"
#include "source_cell/unitcell.h"
#include <functional>

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Namespaces
namespace	DeePKS_domain

Functions
void	DeePKS_domain::iterate_ad1 (const UnitCell &ucell, const Grid_Driver &GridD, const LCAO_Orbitals &orb, const bool with_trace, std::function< void(const int, const ModuleBase::Vector3< double > &, const int, const ModuleBase::Vector3< double > &, const int, const int, ModuleBase::Vector3< int >)> callback)
void	DeePKS_domain::iterate_ad2 (const UnitCell &ucell, const Grid_Driver &GridD, const LCAO_Orbitals &orb, const bool with_trace, std::function< void(const int, const ModuleBase::Vector3< double > &, const int, const ModuleBase::Vector3< double > &, const int, const int, ModuleBase::Vector3< int >, const int, const ModuleBase::Vector3< double > &, const int, const int, ModuleBase::Vector3< int >)> callback)