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Atomic-orbital Based Ab-initio Computation at UStc
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NumericalRadial Member List

This is the complete list of members for NumericalRadial, including all inherited members.

build(const int l, const bool for_r_space, const int ngrid, const double *const grid, const double *const value, const int p=0, const int izeta=0, const std::string symbol="", const int itype=0, const bool init_sbt=true)NumericalRadial
ikcut_NumericalRadialprivate
ircut_NumericalRadialprivate
is_fft_compliant() constNumericalRadialinline
is_fft_compliant(const int nr, const double *const rgrid, const int nk, const double *const kgrid, const double tol=1e-15)NumericalRadialprivatestatic
is_fft_compliant_NumericalRadialprivate
is_uniform(const int n, const double *const grid, const double tol=1e-15)NumericalRadialprivatestatic
itype() constNumericalRadialinline
itype_NumericalRadialprivate
izeta() constNumericalRadialinline
izeta_NumericalRadialprivate
kcut() constNumericalRadialinline
kgrid() constNumericalRadialinline
kgrid(int ik) constNumericalRadialinline
kgrid_NumericalRadialprivate
kmax() constNumericalRadialinline
kvalue() constNumericalRadialinline
kvalue(int ik) constNumericalRadialinline
kvalue_NumericalRadialprivate
l() constNumericalRadialinline
l_NumericalRadialprivate
nk() constNumericalRadialinline
nk_NumericalRadialprivate
normalize(bool for_r_space=true)NumericalRadial
nr() constNumericalRadialinline
nr_NumericalRadialprivate
NumericalRadial()=defaultNumericalRadial
NumericalRadial(NumericalRadial const &)NumericalRadial
operator=(NumericalRadial const &)NumericalRadial
pk() constNumericalRadialinline
pk_NumericalRadialprivate
pr() constNumericalRadialinline
pr_NumericalRadialprivate
radtab(const char op, const NumericalRadial &ket, const int l, double *const table, const int nr_tab, const double rmax_tab, const bool deriv=false) constNumericalRadial
rcut() constNumericalRadialinline
rgrid() constNumericalRadialinline
rgrid(int ir) constNumericalRadialinline
rgrid_NumericalRadialprivate
rmax() constNumericalRadialinline
rvalue() constNumericalRadialinline
rvalue(int ir) constNumericalRadialinline
rvalue_NumericalRadialprivate
sbt() constNumericalRadialinline
sbt_NumericalRadialprivate
set_grid(const bool for_r_space, const int ngrid, const double *const grid, const char mode='i')NumericalRadial
set_icut(const bool for_r_space, const bool for_k_space, const double tol=1e-15)NumericalRadialprivate
set_transformer(ModuleBase::SphericalBesselTransformer sbt, int update=0)NumericalRadial
set_uniform_grid(const bool for_r_space, const int ngrid, const double cutoff, const char mode='i', const bool enable_fft=false)NumericalRadial
set_value(const bool for_r_space, const double *const value, const int p)NumericalRadial
symbol() constNumericalRadialinline
symbol_NumericalRadialprivate
to_numerical_orbital_lm(Numerical_Orbital_Lm &orbital_lm, const int nk_legacy=4005, const double lcao_dk=0.01) constNumericalRadial
transform(const bool forward)NumericalRadialprivate
wipe(const bool r_space=true, const bool k_space=true)NumericalRadial
~NumericalRadial()NumericalRadial