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Atomic-orbital Based Ab-initio Computation at UStc
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hamilt::HamiltLCAO< TK, TR > Member List

This is the complete list of members for hamilt::HamiltLCAO< TK, TR >, including all inherited members.

classnamehamilt::Hamilt< TK >
ctxhamilt::Hamilt< TK >protected
current_spinhamilt::HamiltLCAO< TK, TR >private
get_size_hsk() consthamilt::HamiltLCAO< TK, TR >inline
get_V_delta_R()hamilt::HamiltLCAO< TK, TR >inline
getHk() consthamilt::HamiltLCAO< TK, TR >inline
getHR()hamilt::HamiltLCAO< TK, TR >inline
getOperator()hamilt::HamiltLCAO< TK, TR >
getSk() consthamilt::HamiltLCAO< TK, TR >inline
getSR()hamilt::HamiltLCAO< TK, TR >inline
HamiltLCAO(Gint_Gamma *GG_in, Gint_k *GK_in, const UnitCell &ucell, const Grid_Driver &grid_d, const Parallel_Orbitals *paraV, elecstate::Potential *pot_in, const K_Vectors &kv_in, const TwoCenterBundle &two_center_bundle, const LCAO_Orbitals &orb, elecstate::DensityMatrix< TK, double > *DM_in, LCAO_Deepks< TK > *ld_in)hamilt::HamiltLCAO< TK, TR >
HamiltLCAO(const UnitCell &ucell, const Grid_Driver &grid_d, const Parallel_Orbitals *paraV, const K_Vectors &kv_in, const TwoCenterIntegrator &intor_overlap_orb, const std::vector< double > &orb_cutoff)hamilt::HamiltLCAO< TK, TR >
hPsi(const TK *psi_in, TK *hpsi, const size_t size) consthamilt::Hamilt< TK >inlinevirtual
hRhamilt::HamiltLCAO< TK, TR >private
hRS2hamilt::HamiltLCAO< TK, TR >private
hskhamilt::HamiltLCAO< TK, TR >private
istephamilt::HamiltLCAO< TK, TR >private
kvhamilt::HamiltLCAO< TK, TR >private
matrix(MatrixBlock< TK > &hk_in, MatrixBlock< TK > &sk_in) overridehamilt::HamiltLCAO< TK, TR >
Hamilt< TK >::matrix(MatrixBlock< std::complex< double > > &hk_in, MatrixBlock< std::complex< double > > &sk_in)hamilt::Hamilt< TK >inlinevirtual
Hamilt< TK >::matrix(MatrixBlock< double > &hk_in, MatrixBlock< double > &sk_in)hamilt::Hamilt< TK >inlinevirtual
Hamilt< TK >::matrix()hamilt::Hamilt< TK >inlinevirtual
non_first_scfhamilt::Hamilt< TK >
opshamilt::Hamilt< TK >
refresh() overridehamilt::HamiltLCAO< TK, TR >virtual
refresh_timeshamilt::HamiltLCAO< TK, TR >private
sPsi(const TK *psi_in, TK *spsi, const int nrow, const int npw, const int nbands) consthamilt::Hamilt< TK >inlinevirtual
sRhamilt::HamiltLCAO< TK, TR >private
syncmem_op typedefhamilt::Hamilt< TK >protected
TAC typedefhamilt::HamiltLCAO< TK, TR >
updateHk(const int ik) overridehamilt::HamiltLCAO< TK, TR >virtual
updateSk(const int ik, const int hk_type=0)hamilt::HamiltLCAO< TK, TR >
V_delta_Rhamilt::HamiltLCAO< TK, TR >private
~Hamilt()hamilt::Hamilt< TK >inlinevirtual
~HamiltLCAO()hamilt::HamiltLCAO< TK, TR >inline