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Atomic-orbital Based Ab-initio Computation at UStc
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LR::LR_Spectrum< T > Member List

This is the complete list of members for LR::LR_Spectrum< T >, including all inherited members.

ana_thrLR::LR_Spectrum< T >private
cal_gint_rho(double **rho, const int &nrxx)LR::LR_Spectrum< T >private
cal_mean_squared_dipole(ModuleBase::Vector3< T > dipole)LR::LR_Spectrum< T >private
cal_mean_squared_dipole(ModuleBase::Vector3< double > dipole)LR::LR_Spectrum< T >private
cal_mean_squared_dipole(ModuleBase::Vector3< std::complex< double > > dipole)LR::LR_Spectrum< T >private
cal_transition_density_matrix(const int istate, const T *X_in=nullptr, const bool need_R=true)LR::LR_Spectrum< T >private
cal_transition_dipole_istate_length(const int istate)LR::LR_Spectrum< T >private
cal_transition_dipole_istate_length(const int istate)LR::LR_Spectrum< T >private
cal_transition_dipole_istate_length(const int istate)LR::LR_Spectrum< T >private
cal_transition_dipole_istate_velocity_k(const int istate, const Velocity_op< std::complex< double > > &vR)LR::LR_Spectrum< T >private
cal_transition_dipole_istate_velocity_R(const int istate, const Velocity_op< std::complex< double > > &vR)LR::LR_Spectrum< T >private
cal_transition_dipoles_length()LR::LR_Spectrum< T >private
cal_transition_dipoles_velocity()LR::LR_Spectrum< T >private
eigLR::LR_Spectrum< T >private
gd_LR::LR_Spectrum< T >private
gdimLR::LR_Spectrum< T >private
get_pair_info(const int i)LR::LR_Spectrum< T >private
gintLR::LR_Spectrum< T >private
kvLR::LR_Spectrum< T >private
ldimLR::LR_Spectrum< T >private
LR_Spectrum(const int &nspin_global, const int &naos, const std::vector< int > &nocc, const std::vector< int > &nvirt, typename TGint< T >::type *gint, const ModulePW::PW_Basis &rho_basis, psi::Psi< T > &psi_ks_in, const UnitCell &ucell, const K_Vectors &kv_in, const Grid_Driver &gd, const std::vector< double > &orb_cutoff, const TwoCenterBundle &two_center_bundle_, const std::vector< Parallel_2D > &pX_in, const Parallel_2D &pc_in, const Parallel_Orbitals &pmat_in, const double *eig, const T *X, const int &nstate, const bool &openshell, const std::string &gauge="length")LR::LR_Spectrum< T >inline
mean_squared_transition_dipole_LR::LR_Spectrum< T >private
naosLR::LR_Spectrum< T >private
nkLR::LR_Spectrum< T >private
noccLR::LR_Spectrum< T >private
nspin_xLR::LR_Spectrum< T >private
nstateLR::LR_Spectrum< T >private
nvirtLR::LR_Spectrum< T >private
optical_absorption_method1(const std::vector< double > &freq, const double eta)LR::LR_Spectrum< T >
optical_absorption_method2(const std::vector< double > &freq, const double eta)LR::LR_Spectrum< T >
orb_cutoff_LR::LR_Spectrum< T >private
oscillator_strength()LR::LR_Spectrum< T >private
oscillator_strength_LR::LR_Spectrum< T >private
pcLR::LR_Spectrum< T >private
pmatLR::LR_Spectrum< T >private
psi_ksLR::LR_Spectrum< T >private
pXLR::LR_Spectrum< T >private
rho_basisLR::LR_Spectrum< T >private
test_transition_dipoles_velocity_ks(const double *const ks_eig)LR::LR_Spectrum< T >
transition_analysis(const std::string &spintype)LR::LR_Spectrum< T >
transition_dipole_LR::LR_Spectrum< T >private
two_center_bundle_LR::LR_Spectrum< T >private
ucellLR::LR_Spectrum< T >private
write_transition_dipole(const std::string &filename)LR::LR_Spectrum< T >
XLR::LR_Spectrum< T >private