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# sc::OneBodyWavefunction Member List

This is the complete list of members for sc::OneBodyWavefunction, including all inherited members.

- actual_gradient_accuracy() const (defined in sc::Function)`[virtual]`
- actual_hessian_accuracy() const (defined in sc::Function)`[virtual]`
- actual_value_accuracy() const `[virtual]`
- alpha_ao_density() `[virtual]`
- alpha_density() `[virtual]`
- alpha_eigenvalues() (defined in sc::OneBodyWavefunction)`[virtual]`
- alpha_eigenvectors() (defined in sc::OneBodyWavefunction)`[virtual]`
- alpha_occupation(int irrep, int vectornum) `[virtual]`
- alpha_occupation(int vectornum)
- alpha_occupations_ (defined in sc::OneBodyWavefunction)`[protected]`
- ao_density() `[virtual]`
- ao_dimension()
- basis() const
- basis_matrixkit()
- beta_ao_density() `[virtual]`
- beta_density() `[virtual]`
- beta_eigenvalues() (defined in sc::OneBodyWavefunction)`[virtual]`
- beta_eigenvectors() (defined in sc::OneBodyWavefunction)`[virtual]`
- beta_occupation(int irrep, int vectornum) `[virtual]`
- beta_occupation(int vectornum)
- beta_occupations_ (defined in sc::OneBodyWavefunction)`[protected]`
- Canonical enum value (defined in sc::Wavefunction)
- change_coordinates() `[virtual]`
- charge()
- class_desc() const
- class_name() const
- class_version() const
- compute()=0 `[protected, pure virtual]`
- Compute() (defined in sc::Compute)
- copy_orthog_info(const Ref< Wavefunction > &) (defined in sc::Wavefunction)`[protected]`
- core_hamiltonian() `[virtual]`
- debug_ (defined in sc::Wavefunction)`[protected]`
- density(const SCVector3 &) (defined in sc::Wavefunction)
- density()=0 `[pure virtual]`
- density_ (defined in sc::OneBodyWavefunction)`[protected]`
- density_gradient(const SCVector3 &,double *) (defined in sc::Wavefunction)
- dereference() `[inline]`
- DescribedClass() (defined in sc::DescribedClass)
- DescribedClass(const DescribedClass &) (defined in sc::DescribedClass)
- desired_gradient_accuracy() const (defined in sc::Function)`[virtual]`
- desired_hessian_accuracy() const (defined in sc::Function)`[virtual]`
- desired_value_accuracy() const `[virtual]`
- dim_ `[protected]`
- dimension() const
- dir_restore_state(StateIn &si, const char *objectname, const char *keyword=0) (defined in sc::SavableState)`[static]`
- do_change_coordinates(const Ref< NonlinearTransform > &) `[protected]`
- do_gradient(int) (defined in sc::Function)
- do_hessian(int) (defined in sc::Function)
- do_value(int)
- eigenvalues()=0 `[pure virtual]`
- eigenvalues_ (defined in sc::OneBodyWavefunction)`[protected]`
- eigenvectors()
- energy() `[virtual]`
- failure(const char *) (defined in sc::MolecularEnergy)`[protected]`
- form_occupations(int *&newocc, const int *oldocc) (defined in sc::OneBodyWavefunction)`[protected]`
- Function() (defined in sc::Function)
- Function(StateIn &) (defined in sc::Function)
- Function(const Function &) (defined in sc::Function)
- Function(const Ref< KeyVal > &, double funcacc=DBL_EPSILON, double gradacc=DBL_EPSILON, double hessacc=DBL_EPSILON)
- get_cartesian_gradient()
- get_cartesian_hessian()
- get_cartesian_x()
- get_x() const (defined in sc::Function)`[inline]`
- get_x_no_copy() const (defined in sc::Function)`[inline]`
- get_x_reference() `[inline, protected]`
- gradient() (defined in sc::Function)`[virtual]`
- gradient_ `[protected]`
- gradient_implemented() const (defined in sc::Function)`[virtual]`
- gradient_needed() const (defined in sc::Function)
- gradient_result() (defined in sc::Function)`[inline]`
- GramSchmidt enum value (defined in sc::Wavefunction)
- guess_hessian(RefSymmSCMatrix &) `[virtual]`
- hcore_guess() `[virtual]`
- hcore_guess(RefDiagSCMatrix &val) `[virtual]`
- hessian() `[virtual]`
- hessian_ `[protected]`
- hessian_implemented() const (defined in sc::MolecularEnergy)`[virtual]`
- hessian_needed() const (defined in sc::Function)
- hessian_result() (defined in sc::Function)`[inline]`
- identifier() `[inline]`
- init_sym_info() (defined in sc::OneBodyWavefunction)`[protected]`
- initial_pg_ (defined in sc::MolecularEnergy)`[protected]`
- integral()
- inverse_hessian(RefSymmSCMatrix &) (defined in sc::MolecularEnergy)`[virtual]`
- key_restore_state(StateIn &si, const char *keyword) `[static]`
- lindep_tol() const `[inline]`
- lock_ptr() const
- managed() const `[inline]`
- managed() const `[inline]`
- matrixkit() const
- matrixkit_ `[protected]`
- max_orthog_res() const (defined in sc::Wavefunction)`[inline, protected]`
- min_orthog_res() const (defined in sc::Wavefunction)`[inline, protected]`
- mo_to_orthog_so()
- mo_to_so()
- moldim() const (defined in sc::MolecularEnergy)`[virtual]`
- molecularcoor() (defined in sc::MolecularEnergy)`[inline]`
- MolecularEnergy(const MolecularEnergy &) (defined in sc::MolecularEnergy)
- MolecularEnergy(const Ref< KeyVal > &)
- MolecularEnergy(StateIn &) (defined in sc::MolecularEnergy)
- molecule() const (defined in sc::MolecularEnergy)`[virtual]`
- molecule_to_x() (defined in sc::MolecularEnergy)`[protected]`
- nao(double *atom_charges=0) `[virtual]`
- natural_density() `[virtual]`
- natural_orbital(const SCVector3 &r, int iorb) (defined in sc::Wavefunction)
- natural_orbital_density(const SCVector3 &r, int orb, double *orbval=0) (defined in sc::Wavefunction)
- natural_orbitals() `[virtual]`
- nelectron() `[virtual]`
- nirrep_ (defined in sc::OneBodyWavefunction)`[protected]`
- nreference() const `[inline]`
- nvecperirrep_ (defined in sc::OneBodyWavefunction)`[protected]`
- obsolete() `[virtual]`
- occupation(int irrep, int vectornum)=0 `[pure virtual]`
- occupation(int vectornum)
- occupations_ (defined in sc::OneBodyWavefunction)`[protected]`
- OneBodyWavefunction(StateIn &) (defined in sc::OneBodyWavefunction)
- OneBodyWavefunction(const Ref< KeyVal > &)
- operator=(const MolecularEnergy &) (defined in sc::MolecularEnergy)
- operator=(const Function &) (defined in sc::Function)
- operator=(const SavableState &) (defined in sc::SavableState)
- operator=(const DescribedClass &) (defined in sc::DescribedClass)
- operator=(const RefCount &) (defined in sc::RefCount)`[inline, protected]`
- orbital(const SCVector3 &r, int iorb) (defined in sc::OneBodyWavefunction)
- orbital(const SCVector3 &r, int iorb, const RefSCMatrix &orbs) (defined in sc::Wavefunction)
- orbital_density(const SCVector3 &r, int iorb, double *orbval=0) (defined in sc::OneBodyWavefunction)
- orbital_density(const SCVector3 &r, int iorb, const RefSCMatrix &orbs, double *orbval=0) (defined in sc::Wavefunction)
- orthog_method() const `[inline]`
- orthog_so_to_mo()
- OrthogMethod enum name
- oso_alpha_eigenvectors() (defined in sc::OneBodyWavefunction)`[virtual]`
- oso_beta_eigenvectors() (defined in sc::OneBodyWavefunction)`[virtual]`
- oso_dimension()
- oso_eigenvectors()=0 `[pure virtual]`
- oso_eigenvectors_ (defined in sc::OneBodyWavefunction)`[protected]`
- overlap() `[virtual]`
- print(std::ostream &o=ExEnv::out0()) const `[virtual]`
- print_molecule_when_changed_ (defined in sc::MolecularEnergy)`[protected]`
- print_natom_3(const RefSCVector &, const char *t=0, std::ostream &o=ExEnv::out0()) const
- print_natom_3(double **, const char *t=0, std::ostream &o=ExEnv::out0()) const (defined in sc::MolecularEnergy)
- print_natom_3(double *, const char *t=0, std::ostream &o=ExEnv::out0()) const (defined in sc::MolecularEnergy)
- projected_eigenvalues(const Ref< OneBodyWavefunction > &, int alp=1) (defined in sc::OneBodyWavefunction)`[virtual]`
- projected_eigenvectors(const Ref< OneBodyWavefunction > &, int alp=1) `[virtual]`
- RefCount() (defined in sc::RefCount)`[inline, protected]`
- RefCount(const RefCount &) (defined in sc::RefCount)`[inline, protected]`
- reference() `[inline]`
- restore_state(StateIn &si) `[static]`
- SavableState() (defined in sc::SavableState)`[protected]`
- SavableState(const SavableState &) (defined in sc::SavableState)`[protected]`
- SavableState(StateIn &) `[protected]`
- save_data_state(StateOut &) `[virtual]`
- save_object_state(StateOut &)
- save_state(StateOut &)
- save_state(SavableState *s, StateOut &) (defined in sc::SavableState)`[static]`
- save_vbase_state(StateOut &) `[virtual]`
- set_actual_gradient_accuracy(double) (defined in sc::Function)`[protected, virtual]`
- set_actual_hessian_accuracy(double) (defined in sc::Function)`[protected, virtual]`
- set_actual_value_accuracy(double) (defined in sc::Function)`[protected, virtual]`
- set_desired_gradient_accuracy(double) (defined in sc::Function)`[virtual]`
- set_desired_hessian_accuracy(double) (defined in sc::Function)`[virtual]`
- set_desired_value_accuracy(double) `[virtual]`
- set_dimension(const RefSCDimension &) (defined in sc::Function)`[protected, virtual]`
- set_energy(double) `[protected, virtual]`
- set_gradient(RefSCVector &) `[protected, virtual]`
- set_hessian(RefSymmSCMatrix &) (defined in sc::MolecularEnergy)`[protected, virtual]`
- set_matrixkit(const Ref< SCMatrixKit > &) `[protected, virtual]`
- set_value(double) (defined in sc::Function)`[protected, virtual]`
- set_x(const RefSCVector &) `[virtual]`
- so_dimension()
- so_to_mo()
- so_to_orthog_so()
- so_to_orthog_so_inverse()
- spin_polarized()=0 `[pure virtual]`
- spin_unrestricted()=0 `[pure virtual]`
- Symmetric enum value (defined in sc::Wavefunction)
- symmetry_changed() `[virtual]`
- unlock_ptr() const
- unmanage() `[inline]`
- use_locks(bool inVal)
- value() `[virtual]`
- value_ `[protected]`
- value_implemented() const `[virtual]`
- value_needed() const
- value_result() (defined in sc::Function)`[inline]`
- Wavefunction(StateIn &) (defined in sc::Wavefunction)
- Wavefunction(const Ref< KeyVal > &)
- x_ `[protected]`
- x_to_molecule() (defined in sc::MolecularEnergy)`[protected]`
- ~Compute() (defined in sc::Compute)`[virtual]`
- ~DescribedClass() (defined in sc::DescribedClass)`[virtual]`
- ~Function() (defined in sc::Function)`[virtual]`
- ~Identity() (defined in sc::Identity)`[virtual]`
- ~MolecularEnergy() (defined in sc::MolecularEnergy)
- ~OneBodyWavefunction() (defined in sc::OneBodyWavefunction)
- ~RefCount() (defined in sc::RefCount)`[virtual]`
- ~SavableState() (defined in sc::SavableState)`[virtual]`
- ~Wavefunction() (defined in sc::Wavefunction)`[virtual]`