ctrl_output_lcao.h File Reference

#include <complex>
#include "source_cell/unitcell.h"
#include "source_cell/klist.h"
#include "source_estate/elecstate_lcao.h"
#include "source_psi/psi.h"
#include "source_lcao/hamilt_lcao.h"
#include "source_basis/module_nao/two_center_bundle.h"
#include "source_lcao/module_gint/gint_k.h"
#include "source_basis/module_pw/pw_basis_k.h"
#include "source_pw/module_pwdft/structure_factor.h"
#include "source_lcao/module_rdmft/rdmft.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 TK , typename TR >
void	ModuleIO::ctrl_output_lcao (UnitCell &ucell, K_Vectors &kv, elecstate::ElecStateLCAO< TK > *pelec, Parallel_Orbitals &pv, Grid_Driver &gd, psi::Psi< TK > *psi, hamilt::HamiltLCAO< TK, TR > *p_hamilt, TwoCenterBundle &two_center_bundle, Gint_k &gk, LCAO_Orbitals &orb, const ModulePW::PW_Basis_K *pw_wfc, const ModulePW::PW_Basis *pw_rho, Grid_Technique &gt, const ModulePW::PW_Basis_Big *pw_big, const Structure_Factor &sf, rdmft::RDMFT< TK, TR > &rdmft_solver, LCAO_Deepks< TK > &ld, const int istep)