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ampsci
c++ program for high-precision atomic structure calculations of single-valence systems
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This is the complete list of members for Wavefunction, including all inherited members.
| alpha() const | Wavefunction | inline |
| Anuc() const | Wavefunction | inline |
| atom() const | Wavefunction | inline |
| atomicSymbol() const | Wavefunction | inline |
| basis() const | Wavefunction | inline |
| basis() (defined in Wavefunction) | Wavefunction | inline |
| CIwf(int J, int parity) const (defined in Wavefunction) | Wavefunction | inline |
| CIwfs() const (defined in Wavefunction) | Wavefunction | inline |
| ConfigurationInteraction(const IO::InputBlock &input) (defined in Wavefunction) | Wavefunction | |
| copySigma(const MBPT::CorrelationPotential *const Sigma) (defined in Wavefunction) | Wavefunction | inline |
| core() const | Wavefunction | inline |
| coreConfiguration() const | Wavefunction | inline |
| coreConfiguration_nice() const | Wavefunction | inline |
| coreDensity() const | Wavefunction | |
| coreEnergyHF() const | Wavefunction | |
| dalpha2() const | Wavefunction | inline |
| energy_gap() const | Wavefunction | |
| FermiLevel() const | Wavefunction | |
| fitSigma_hfBrueckner(const std::string &valence_list, const std::vector< double > &fit_energies) | Wavefunction | |
| formBasis(const SplineBasis::Parameters ¶ms) | Wavefunction | |
| formSigma(int nmin_core=1, int nmin_core_F=1, double r0=1.0e-4, double rmax=30.0, int stride=4, bool each_valence=false, bool include_G=false, bool include_Breit=false, int n_max_breit=0, const std::vector< double > &lambdas={}, const std::vector< double > &fk={}, const std::vector< double > &etak={}, const std::string &in_fname="", const std::string &out_fname="", bool FeynmanQ=false, bool ScreeningQ=false, bool holeParticleQ=false, int lmax=6, double omre=-0.2, double w0=0.01, double wratio=1.5, const std::optional< IO::InputBlock > &ek=std::nullopt) | Wavefunction | |
| formSpectrum(const SplineBasis::Parameters ¶ms) | Wavefunction | |
| get_rrms() const | Wavefunction | inline |
| getState(int n, int k) const | Wavefunction | |
| getState(std::string_view state) const | Wavefunction | |
| grid() const | Wavefunction | inline |
| grid_sptr() const | Wavefunction | inline |
| H0ab(const DiracSpinor &Fa, const DiracSpinor &Fb) const | Wavefunction | |
| H0ab(const DiracSpinor &Fa, const DiracSpinor &dFa, const DiracSpinor &Fb, const DiracSpinor &dFb) const | Wavefunction | |
| Hab(const DiracSpinor &Fa, const DiracSpinor &Fb) const (defined in Wavefunction) | Wavefunction | |
| hartreeFockBrueckner(const bool print=true) | Wavefunction | |
| hf_valence() const (defined in Wavefunction) | Wavefunction | inline |
| Hmag(int l=0) const | Wavefunction | |
| identity() const | Wavefunction | |
| ion_degree(int num_val) const | Wavefunction | inline |
| ion_symbol(int num_val) const | Wavefunction | inline |
| isInCore(int n, int k) const | Wavefunction | |
| isInValence(int n, int k) const (defined in Wavefunction) | Wavefunction | |
| lminmax_core_range(int l, double eps=0.0) const | Wavefunction | |
| Ncore() const | Wavefunction | |
| nucleus() const | Wavefunction | inline |
| printBasis(const std::vector< DiracSpinor > &the_basis) const | Wavefunction | |
| printCore() const | Wavefunction | |
| printValence(const std::vector< DiracSpinor > &tmp_orbitals={}) const | Wavefunction | |
| radiativePotential(QED::RadPot::Scale s, double rcut, double scale_rN, const std::vector< double > &x_spd, bool do_readwrite=true, bool print=true) | Wavefunction | |
| radiativePotential(const IO::InputBlock &qed_input, bool do_readwrite, bool print) | Wavefunction | |
| set_HF(const std::string &method="HartreeFock", const double x_Breit=0.0, const std::string &in_core="", double eps_HF=1.0e-13, bool print=true) | Wavefunction | |
| Sigma() const | Wavefunction | inline |
| Sigma() (defined in Wavefunction) | Wavefunction | inline |
| solve_core(bool print=true) | Wavefunction | |
| solve_core(const std::string &method, const double x_Breit=0.0, const std::string &in_core="", double eps_HF=1.0e-13, bool print=true) | Wavefunction | |
| solve_valence(const std::string &in_valence_str="", const bool print=true) | Wavefunction | |
| spectrum() const | Wavefunction | inline |
| spectrum() (defined in Wavefunction) | Wavefunction | inline |
| update_Vnuc(const std::vector< double > &v_new) | Wavefunction | inline |
| valence() const | Wavefunction | inline |
| valence() (defined in Wavefunction) | Wavefunction | inline |
| vHF() const | Wavefunction | inline |
| vHF() (defined in Wavefunction) | Wavefunction | inline |
| vlocal(int l=0) const | Wavefunction | |
| vnuc() const | Wavefunction | inline |
| vrad() const | Wavefunction | inline |
| vrad() (defined in Wavefunction) | Wavefunction | inline |
| Wavefunction(std::shared_ptr< const Grid > grid, const Nuclear::Nucleus &nucleus, double var_alpha=1.0, const std::string &run_label="") | Wavefunction | |
| Wavefunction(const GridParameters &gridparams, const Nuclear::Nucleus &nucleus, double var_alpha=1.0, const std::string &run_label="") | Wavefunction | |
| Wavefunction() (defined in Wavefunction) | Wavefunction | inline |
| Zion() const | Wavefunction | inline |
| Znuc() const | Wavefunction | inline |
1.9.1