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ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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This is the complete list of members for HydrogenRadials, including all inherited members.
| assoc_laguerre_ | HydrogenRadials | private |
| build(const int itype=0, const double charge=1.0, const bool with_slater_screening=false, const int nmax=0, const double rcut=10.0, const double dr=0.01, const double conv_thr=1e-6, const int rank=0, const std::string symbol="", const std::string strategy="minimal-valence", std::ofstream *ptr_log=nullptr) | HydrogenRadials | virtual |
| RadialSet::build(const std::string &, const int=0, std::ofstream *const =nullptr, const int=0) | RadialSet | inlinevirtual |
| RadialSet::build(const Numerical_Nonlocal &, const int=0, std::ofstream *const =nullptr) | RadialSet | inlinevirtual |
| RadialSet::build(const std::string &, const int, const double, const double, std::ofstream *const =nullptr, const int=0) | RadialSet | inlinevirtual |
| RadialSet::build(const int, const int, const double, const double=0.1, const double=0.01, const int=0, std::ofstream *=nullptr, const int=0) | RadialSet | inlinevirtual |
| cbegin() const | RadialSet | inline |
| cend() const | RadialSet | inline |
| chi(const int l, const int izeta) | RadialSet | |
| chi_ | RadialSet | protected |
| cleanup() | RadialSet | protected |
| clone() const | HydrogenRadials | inlinevirtual |
| generate_hydrogen_radial_segment(const double charge=1.0, const bool with_slater_screening=false, const int n=0, const int l=0, const double rmin=0.0, const double rmax=10.0, const double dr=0.01, const int rank=0, std::ofstream *ptr_log=nullptr) | HydrogenRadials | private |
| generate_hydrogen_radial_toconv(const double charge, const bool with_slater_screening, const int n, const int l, const double conv_thr, const int rank, std::vector< double > &rgrid, std::vector< double > &rvalue, std::ofstream *ptr_log=nullptr) | HydrogenRadials | |
| generate_orb(const double charge=1.0, const bool with_slater_screening=false, const int nmax=0, const double dr=0.01, const double conv_thr=1e-6, const int rank=0, const std::string strategy="minimal-valence", std::ofstream *ptr_log=nullptr) | HydrogenRadials | |
| hydrogen(const double charge=1.0, const bool with_slater_screening=false, const int nmax=0, const double dr=0.01, const double conv_thr=1e-6, const int rank=0, const std::string strategy="minimal-valence", std::ofstream *ptr_log=nullptr) | HydrogenRadials | |
| HydrogenRadials() | HydrogenRadials | inline |
| index(const int l, const int izeta) const | RadialSet | protected |
| index_map_ | RadialSet | protected |
| indexing() | RadialSet | protected |
| itype() const | RadialSet | inline |
| itype_ | RadialSet | protected |
| lmax() const | RadialSet | inline |
| lmax_ | RadialSet | protected |
| mapping_nl_lzeta(const int nmax=0, const std::string strategy="minimal-valence") | HydrogenRadials | |
| nchi() const | RadialSet | inline |
| nchi_ | RadialSet | protected |
| nzeta(const int l) const | RadialSet | inline |
| nzeta_ | RadialSet | protected |
| nzeta_max() const | RadialSet | inline |
| nzeta_max_ | RadialSet | protected |
| operator=(const HydrogenRadials &rhs) | HydrogenRadials | |
| RadialSet::operator=(const RadialSet &) | RadialSet | |
| radial_norm(const std::vector< double > rgrid, const std::vector< double > rvalue) | HydrogenRadials | |
| RadialSet()=default | RadialSet | |
| RadialSet(const RadialSet &) | RadialSet | |
| rcut_max() const | RadialSet | inline |
| rcut_max_ | RadialSet | protected |
| set_grid(const bool for_r_space, const int ngrid, const double *grid, const char mode='i') | RadialSet | |
| set_rcut_max() | RadialSet | protected |
| set_transformer(ModuleBase::SphericalBesselTransformer sbt, const int update=0) | RadialSet | |
| set_uniform_grid(const bool for_r_space, const int ngrid, const double cutoff, const char mode='i', const bool enable_fft=false) | RadialSet | |
| slater_screening(const std::string symbol, const int n, const int l) | HydrogenRadials | |
| smooth(std::vector< double > &rgrid, std::vector< double > &rvalue, const double sigma=0.1) | HydrogenRadials | |
| symbol() const | RadialSet | inline |
| symbol_ | RadialSet | protected |
| to_numerical_orbital(Numerical_Orbital &, const int nk_legacy=4005, const double lcao_dk=0.01) const | RadialSet | virtual |
| unzip_strategy(const int nmax=0, const std::string strategy="minimal-valence") | HydrogenRadials | |
| write_abacus_orb(const std::string &, const int=0) const | RadialSet | |
| ~HydrogenRadials() | HydrogenRadials | inline |
| ~RadialSet() | RadialSet | virtual |
1.9.8