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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 PswfcRadials, including all inherited members.
| build(const std::string &file="", const int itype=0, const double screening_coeff=0.1, const double conv_thr=1e-10, std::ofstream *ptr_log=nullptr, const int rank=0) | PswfcRadials | 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 int=0, const double=1.0, const bool=false, const int=0, const double=10.0, const double=0.01, const double=1e-6, const int=0, const std::string="", const std::string="minimal-valence", std::ofstream *const =nullptr) | 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 | PswfcRadials | inlinevirtual |
| cut_to_convergence(const std::vector< double > &rgrid, std::vector< double > &rvalue, const double &conv_thr) | PswfcRadials | |
| 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 |
| 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 PswfcRadials &rhs) | PswfcRadials | |
| RadialSet::operator=(const RadialSet &) | RadialSet | |
| pswfc_prepossess(std::map< std::pair< int, int >, std::vector< double > > &pswfc_map, const double conv_thr=1e-6) | PswfcRadials | |
| PswfcRadials() | PswfcRadials | inline |
| radial_norm(const std::vector< double > rgrid, const std::vector< double > rvalue) | PswfcRadials | |
| RadialSet()=default | RadialSet | |
| RadialSet(const RadialSet &) | RadialSet | |
| rcut_max() const | RadialSet | inline |
| rcut_max_ | RadialSet | protected |
| read_keyword_value(std::ifstream &ifs, std::string word) | PswfcRadials | |
| read_upf_pswfc(std::ifstream &ifs, const double screening_coeff, const double conv_thr, std::ofstream *ptr_log=nullptr, const int rank=0) | PswfcRadials | |
| 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 | |
| smooth(std::vector< double > &rgrid, std::vector< double > &rvalue, const double sigma=0.1) | PswfcRadials | |
| startswith(std::string word, std::string pattern) | PswfcRadials | |
| steal_from_quotes(std::string word) | PswfcRadials | |
| steal_from_quotes(std::ifstream &ifs, std::string word) | PswfcRadials | |
| 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 |
| write_abacus_orb(const std::string &, const int=0) const | RadialSet | |
| ~PswfcRadials() | PswfcRadials | inline |
| ~RadialSet() | RadialSet | virtual |
1.9.8