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sc::UHF Member List
This is the complete list of members for sc::UHF, including all inherited members.

Access enum name (defined in sc::SCF) | sc::SCF | `[protected]`
Accum enum value (defined in sc::SCF) | sc::SCF | `[protected]`
accumddh_ (defined in sc::SCF) | sc::SCF | `[protected]`
accumdih_ (defined in sc::SCF) | sc::SCF | `[protected]`
actual_gradient_accuracy() const (defined in sc::Function) | sc::Function | `[virtual]`
actual_hessian_accuracy() const (defined in sc::Function) | sc::Function | `[virtual]`
actual_value_accuracy() const | sc::Function | `[virtual]`
alpha_ao_density() | sc::Wavefunction | `[virtual]`
alpha_density() | sc::UnrestrictedSCF | `[virtual]`
alpha_eigenvalues() (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[virtual]`
alpha_eigenvectors() (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[virtual]`
alpha_occupation(int, int) | sc::UnrestrictedSCF | `[virtual]`
sc::SCF::alpha_occupation(int vectornum) | sc::OneBodyWavefunction |
alpha_occupations_ (defined in sc::OneBodyWavefunction) | sc::OneBodyWavefunction | `[protected]`
always_use_guess_wfn_ (defined in sc::SCF) | sc::SCF | `[protected]`
ao_density() | sc::Wavefunction | `[virtual]`
ao_dimension() | sc::Wavefunction |
ao_fock(double accuracy) (defined in sc::UHF) | sc::UHF | `[protected, virtual]`
atom_basis() const | sc::Wavefunction |
atom_basis_coef() const | sc::Wavefunction |
basis() const | sc::Wavefunction |
basis_matrixkit() | sc::Wavefunction |
beta_ao_density() | sc::Wavefunction | `[virtual]`
beta_density() | sc::UnrestrictedSCF | `[virtual]`
beta_eigenvalues() (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[virtual]`
beta_eigenvectors() (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[virtual]`
beta_occupation(int, int) | sc::UnrestrictedSCF | `[virtual]`
sc::SCF::beta_occupation(int vectornum) | sc::OneBodyWavefunction |
beta_occupations_ (defined in sc::OneBodyWavefunction) | sc::OneBodyWavefunction | `[protected]`
change_coordinates() | sc::MolecularEnergy | `[virtual]`
charge() | sc::Wavefunction |
checkpoint_file() const (defined in sc::MolecularEnergy) | sc::MolecularEnergy |
checkpoint_freq() const (defined in sc::MolecularEnergy) | sc::MolecularEnergy |
class_desc() const | sc::DescribedClass |
class_name() const | sc::DescribedClass |
class_version() const | sc::DescribedClass |
Compute() (defined in sc::Compute) | sc::Compute |
compute() | sc::SCF | `[protected, virtual]`
compute_gradient(const RefSCVector &) (defined in sc::SCF) | sc::SCF | `[protected, virtual]`
compute_guess_ (defined in sc::SCF) | sc::SCF | `[protected]`
compute_hessian(const RefSymmSCMatrix &) (defined in sc::SCF) | sc::SCF | `[protected, virtual]`
compute_vector(double &, double enuclear) (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected, virtual]`
copy_orthog_info(const Ref< Wavefunction > &) (defined in sc::Wavefunction) | sc::Wavefunction | `[protected]`
core_hamiltonian() | sc::Wavefunction | `[virtual]`
debug_ (defined in sc::Wavefunction) | sc::Wavefunction | `[protected]`
dens_reset_freq_ (defined in sc::SCF) | sc::SCF | `[protected]`
densa_ (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected]`
densb_ (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected]`
density() | sc::UnrestrictedSCF | `[virtual]`
density(const SCVector3 &) (defined in sc::Wavefunction) | sc::Wavefunction |
density_ (defined in sc::OneBodyWavefunction) | sc::OneBodyWavefunction | `[protected]`
density_gradient(const SCVector3 &, double *) (defined in sc::Wavefunction) | sc::Wavefunction |
dereference() | sc::RefCount | `[inline]`
DescribedClass() (defined in sc::DescribedClass) | sc::DescribedClass |
DescribedClass(const DescribedClass &) (defined in sc::DescribedClass) | sc::DescribedClass |
desired_gradient_accuracy() const (defined in sc::Function) | sc::Function | `[virtual]`
desired_hessian_accuracy() const (defined in sc::Function) | sc::Function | `[virtual]`
desired_value_accuracy() const | sc::Function | `[virtual]`
diff_densa_ (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected]`
diff_densb_ (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected]`
dim_ | sc::Function | `[protected]`
dimension() const | sc::Function |
dir_restore_state(StateIn &si, const char *objectname, const char *keyword=0) (defined in sc::SavableState) | sc::SavableState | `[static]`
do_change_coordinates(const Ref< NonlinearTransform > &) | sc::Function | `[protected]`
do_gradient(int) (defined in sc::Function) | sc::Function |
do_hessian(int) (defined in sc::Function) | sc::Function |
do_value(int) | sc::Function |
done_gradient() (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected, virtual]`
done_hessian() (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected, virtual]`
done_threads() (defined in sc::SCF) | sc::SCF | `[protected, virtual]`
done_vector() (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected, virtual]`
effective_fock() | sc::UnrestrictedSCF | `[virtual]`
eigenvalues() | sc::UnrestrictedSCF | `[virtual]`
eigenvalues_ (defined in sc::OneBodyWavefunction) | sc::OneBodyWavefunction | `[protected]`
eigenvalues_beta_ (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected]`
eigenvectors() | sc::UnrestrictedSCF |
energy() | sc::MolecularEnergy | `[virtual]`
extrap_ (defined in sc::SCF) | sc::SCF | `[protected]`
extrap_data() (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected, virtual]`
extrap_error() (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected, virtual]`
failure(const char *) (defined in sc::MolecularEnergy) | sc::MolecularEnergy | `[protected]`
fock(int i) | sc::UnrestrictedSCF | `[virtual]`
focka_ (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected]`
fockb_ (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected]`
form_occupations(int *&newocc, const int *oldocc) (defined in sc::OneBodyWavefunction) | sc::OneBodyWavefunction | `[protected]`
Function() (defined in sc::Function) | sc::Function |
Function(StateIn &) (defined in sc::Function) | sc::Function |
Function(const Function &) (defined in sc::Function) | sc::Function |
Function(const Ref< KeyVal > &, double funcacc=DBL_EPSILON, double gradacc=DBL_EPSILON, double hessacc=DBL_EPSILON) | sc::Function |
get_cartesian_gradient() | sc::MolecularEnergy |
get_cartesian_hessian() | sc::MolecularEnergy |
get_cartesian_x() | sc::MolecularEnergy |
get_local_data(const RefSymmSCMatrix &, double *&, Access) (defined in sc::SCF) | sc::SCF | `[protected]`
get_x() const (defined in sc::Function) | sc::Function | `[inline]`
get_x_no_copy() const (defined in sc::Function) | sc::Function | `[inline]`
get_x_reference() | sc::Function | `[inline, protected]`
gmata_ (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected]`
gmatb_ (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected]`
gradient() (defined in sc::Function) | sc::Function | `[virtual]`
gradient_ | sc::Function | `[protected]`
gradient_density() (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected, virtual]`
gradient_implemented() const (defined in sc::UHF) | sc::UHF | `[virtual]`
gradient_needed() const (defined in sc::Function) | sc::Function |
gradient_result() (defined in sc::Function) | sc::Function | `[inline]`
guess_hessian(RefSymmSCMatrix &) | sc::MolecularEnergy | `[virtual]`
guess_wfn_ (defined in sc::SCF) | sc::SCF | `[protected]`
hcore_ (defined in sc::SCF) | sc::SCF | `[protected]`
hcore_guess() | sc::OneBodyWavefunction | `[virtual]`
hcore_guess(RefDiagSCMatrix &val) | sc::OneBodyWavefunction | `[virtual]`
hessian() | sc::MolecularEnergy | `[virtual]`
hessian_ | sc::Function | `[protected]`
hessian_implemented() const (defined in sc::MolecularEnergy) | sc::MolecularEnergy | `[virtual]`
hessian_needed() const (defined in sc::Function) | sc::Function |
hessian_result() (defined in sc::Function) | sc::Function | `[inline]`
identifier() | sc::Identity | `[inline]`
if_to_checkpoint() const | sc::MolecularEnergy |
init_gradient() (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected, virtual]`
init_hessian() (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected, virtual]`
init_mem(int) (defined in sc::SCF) | sc::SCF | `[protected]`
init_pmax(double *) (defined in sc::SCF) | sc::SCF | `[protected]`
init_sym_info() (defined in sc::OneBodyWavefunction) | sc::OneBodyWavefunction | `[protected]`
init_threads() (defined in sc::SCF) | sc::SCF | `[protected, virtual]`
init_vector() (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected, virtual]`
initial_nalpha_ (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected]`
initial_nbeta_ (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected]`
initial_pg_ (defined in sc::MolecularEnergy) | sc::MolecularEnergy | `[protected]`
initial_vector(int needv=1) (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected, virtual]`
integral() | sc::Wavefunction |
inverse_hessian(RefSymmSCMatrix &) (defined in sc::MolecularEnergy) | sc::MolecularEnergy | `[virtual]`
keep_guess_wfn_ (defined in sc::SCF) | sc::SCF | `[protected]`
key_restore_state(StateIn &si, const char *keyword) | sc::SavableState | `[static]`
lagrangian() (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected, virtual]`
level_shift_ (defined in sc::SCF) | sc::SCF | `[protected]`
lindep_tol() const | sc::Wavefunction |
local_ (defined in sc::SCF) | sc::SCF | `[protected]`
local_dens_ (defined in sc::SCF) | sc::SCF | `[protected]`
lock_ptr() const | sc::RefCount |
managed() const (defined in sc::RefCount) | sc::RefCount | `[inline]`
managed() const | sc::RefCount | `[inline]`
matrixkit() const | sc::Function |
matrixkit_ | sc::Function | `[protected]`
max_orthog_res() (defined in sc::Wavefunction) | sc::Wavefunction | `[protected]`
maxiter_ (defined in sc::SCF) | sc::SCF | `[protected]`
min_orthog_res() (defined in sc::Wavefunction) | sc::Wavefunction | `[protected]`
mo_to_orthog_so() | sc::OneBodyWavefunction |
mo_to_so() | sc::OneBodyWavefunction |
moldim() const (defined in sc::MolecularEnergy) | sc::MolecularEnergy | `[virtual]`
molecularcoor() (defined in sc::MolecularEnergy) | sc::MolecularEnergy | `[inline]`
MolecularEnergy(const MolecularEnergy &) (defined in sc::MolecularEnergy) | sc::MolecularEnergy |
MolecularEnergy(const Ref< KeyVal > &) | sc::MolecularEnergy |
MolecularEnergy(StateIn &) (defined in sc::MolecularEnergy) | sc::MolecularEnergy |
molecule() const | sc::Wavefunction | `[virtual]`
molecule_to_x() (defined in sc::MolecularEnergy) | sc::MolecularEnergy | `[protected]`
most_recent_pg_ (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected]`
n_fock_matrices() const (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[virtual]`
nalpha_ (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected]`
nao(double *atom_charges=0) | sc::Wavefunction | `[virtual]`
natural_density() | sc::Wavefunction | `[virtual]`
natural_orbital(const SCVector3 &r, int iorb) (defined in sc::Wavefunction) | sc::Wavefunction |
natural_orbital_density(const SCVector3 &r, int orb, double *orbval=0) (defined in sc::Wavefunction) | sc::Wavefunction |
natural_orbitals() | sc::Wavefunction | `[virtual]`
nbeta_ (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected]`
need_vec_ (defined in sc::SCF) | sc::SCF | `[protected]`
nelectron() | sc::OneBodyWavefunction | `[virtual]`
new_density() (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected, virtual]`
nirrep_ (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected]`
nreference() const | sc::RefCount | `[inline]`
nuclear_repulsion_energy() | sc::Wavefunction | `[virtual]`
nuclear_repulsion_energy_gradient(double *g) | sc::Wavefunction |
nuclear_repulsion_energy_gradient(double **g) | sc::Wavefunction | `[virtual]`
nvecperirrep_ (defined in sc::OneBodyWavefunction) | sc::OneBodyWavefunction | `[protected]`
obsolete() | sc::SCF | `[virtual]`
occupation(int, int) | sc::UnrestrictedSCF | `[virtual]`
sc::SCF::occupation(int vectornum) | sc::OneBodyWavefunction |
occupations_ (defined in sc::OneBodyWavefunction) | sc::OneBodyWavefunction | `[protected]`
one_body_energy() (defined in sc::SCF) | sc::SCF | `[virtual]`
OneBodyWavefunction(StateIn &) (defined in sc::OneBodyWavefunction) | sc::OneBodyWavefunction |
OneBodyWavefunction(const Ref< KeyVal > &) | sc::OneBodyWavefunction |
operator=(const MolecularEnergy &) (defined in sc::MolecularEnergy) | sc::MolecularEnergy |
operator=(const Function &) (defined in sc::Function) | sc::Function |
operator=(const SavableState &) (defined in sc::SavableState) | sc::SavableState |
operator=(const DescribedClass &) (defined in sc::DescribedClass) | sc::DescribedClass |
operator=(const RefCount &) (defined in sc::RefCount) | sc::RefCount | `[inline, protected]`
orbital(const SCVector3 &r, int iorb) (defined in sc::OneBodyWavefunction) | sc::OneBodyWavefunction |
orbital(const SCVector3 &r, int iorb, const RefSCMatrix &orbs) (defined in sc::Wavefunction) | sc::Wavefunction |
orbital_density(const SCVector3 &r, int iorb, double *orbval=0) (defined in sc::OneBodyWavefunction) | sc::OneBodyWavefunction |
orbital_density(const SCVector3 &r, int iorb, const RefSCMatrix &orbs, double *orbval=0) (defined in sc::Wavefunction) | sc::Wavefunction |
orthog_method() const | sc::Wavefunction |
orthog_so_to_mo() | sc::OneBodyWavefunction |
oso_alpha_eigenvectors() (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[virtual]`
oso_beta_eigenvectors() (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[virtual]`
oso_dimension() | sc::Wavefunction |
oso_eigenvectors() | sc::SCF | `[virtual]`
oso_eigenvectors_ (defined in sc::OneBodyWavefunction) | sc::OneBodyWavefunction | `[protected]`
oso_eigenvectors_beta_ (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected]`
oso_scf_vector_ (defined in sc::SCF) | sc::SCF | `[protected]`
oso_scf_vector_beta_ (defined in sc::SCF) | sc::SCF | `[protected]`
overlap() | sc::Wavefunction | `[virtual]`
previous_savestate_file_ (defined in sc::SCF) | sc::SCF | `[protected]`
print(std::ostream &o=ExEnv::out0()) const | sc::UHF | `[virtual]`
print_all_evals_ (defined in sc::SCF) | sc::SCF | `[protected]`
print_molecule_when_changed_ (defined in sc::MolecularEnergy) | sc::MolecularEnergy | `[protected]`
print_natom_3(const RefSCVector &, const char *t=0, std::ostream &o=ExEnv::out0()) const | sc::MolecularEnergy |
print_natom_3(double **, const char *t=0, std::ostream &o=ExEnv::out0()) const (defined in sc::MolecularEnergy) | sc::MolecularEnergy |
print_natom_3(double *, const char *t=0, std::ostream &o=ExEnv::out0()) const (defined in sc::MolecularEnergy) | sc::MolecularEnergy |
print_occ_evals_ (defined in sc::SCF) | sc::SCF | `[protected]`
projected_eigenvalues(const Ref< OneBodyWavefunction > &, int alp=1) (defined in sc::OneBodyWavefunction) | sc::OneBodyWavefunction | `[virtual]`
projected_eigenvectors(const Ref< OneBodyWavefunction > &, int alp=1) | sc::OneBodyWavefunction | `[virtual]`
Read enum value (defined in sc::SCF) | sc::SCF | `[protected]`
read_occ(const Ref< KeyVal > &, const char *name, int nirrep) (defined in sc::SCF) | sc::SCF | `[protected]`
RefCount() (defined in sc::RefCount) | sc::RefCount | `[inline, protected]`
RefCount(const RefCount &) (defined in sc::RefCount) | sc::RefCount | `[inline, protected]`
reference() | sc::RefCount | `[inline]`
reset_density() (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected, virtual]`
reset_occ_ (defined in sc::SCF) | sc::SCF | `[protected]`
restore_state(StateIn &si) | sc::SavableState | `[static]`
SavableState() (defined in sc::SavableState) | sc::SavableState | `[protected]`
SavableState(const SavableState &) (defined in sc::SavableState) | sc::SavableState | `[protected]`
SavableState(StateIn &) | sc::SavableState | `[protected]`
save_data_state(StateOut &) | sc::UHF | `[virtual]`
save_object_state(StateOut &) | sc::SavableState |
save_state(StateOut &) | sc::SavableState |
save_state(SavableState *s, StateOut &) (defined in sc::SavableState) | sc::SavableState | `[static]`
save_vbase_state(StateOut &) | sc::SavableState | `[virtual]`
savestate_iter(int) (defined in sc::SCF) | sc::SCF | `[protected, virtual]`
savestate_to_file(const std::string &filename) (defined in sc::SCF) | sc::SCF | `[protected, virtual]`
SCF(StateIn &) (defined in sc::SCF) | sc::SCF |
SCF(const Ref< KeyVal > &) | sc::SCF |
scf_energy() (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected, virtual]`
scf_grp_ (defined in sc::SCF) | sc::SCF | `[protected]`
set_actual_gradient_accuracy(double) (defined in sc::Function) | sc::Function | `[protected, virtual]`
set_actual_hessian_accuracy(double) (defined in sc::Function) | sc::Function | `[protected, virtual]`
set_actual_value_accuracy(double) (defined in sc::Function) | sc::Function | `[protected, virtual]`
set_checkpoint() | sc::MolecularEnergy |
set_checkpoint_file(const char *) (defined in sc::MolecularEnergy) | sc::MolecularEnergy |
set_checkpoint_freq(int freq) (defined in sc::MolecularEnergy) | sc::MolecularEnergy |
set_desired_gradient_accuracy(double) (defined in sc::Function) | sc::Function | `[virtual]`
set_desired_hessian_accuracy(double) (defined in sc::Function) | sc::Function | `[virtual]`
set_desired_value_accuracy(double eps) | sc::UnrestrictedSCF | `[virtual]`
set_dimension(const RefSCDimension &) (defined in sc::Function) | sc::Function | `[protected, virtual]`
set_energy(double) | sc::MolecularEnergy | `[protected, virtual]`
set_gradient(RefSCVector &) | sc::MolecularEnergy | `[protected, virtual]`
set_hessian(RefSymmSCMatrix &) (defined in sc::MolecularEnergy) | sc::MolecularEnergy | `[protected, virtual]`
set_lindep_tol(double) | sc::Wavefunction |
set_matrixkit(const Ref< SCMatrixKit > &) | sc::Function | `[protected, virtual]`
set_occupations(const RefDiagSCMatrix &) (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected, virtual]`
set_occupations(const RefDiagSCMatrix &, const RefDiagSCMatrix &) (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected]`
set_orthog_method(const OverlapOrthog::OrthogMethod &) | sc::Wavefunction |
set_value(double) (defined in sc::Function) | sc::Function | `[protected, virtual]`
set_x(const RefSCVector &) | sc::MolecularEnergy | `[virtual]`
so_density(const RefSymmSCMatrix &d, double occ, int alp=1) (defined in sc::SCF) | sc::SCF | `[protected]`
so_dimension() | sc::Wavefunction |
so_to_mo() | sc::OneBodyWavefunction |
so_to_orthog_so() | sc::Wavefunction |
so_to_orthog_so_inverse() | sc::Wavefunction |
spin_polarized() | sc::UnrestrictedSCF | `[virtual]`
spin_unrestricted() | sc::UnrestrictedSCF | `[virtual]`
storage_ (defined in sc::SCF) | sc::SCF | `[protected]`
symmetry_changed() | sc::UnrestrictedSCF | `[virtual]`
tbi_ (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected]`
tbis_ (defined in sc::SCF) | sc::SCF | `[protected]`
threadgrp_ (defined in sc::SCF) | sc::SCF | `[protected]`
tnalpha_ (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected]`
tnbeta_ (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected]`
two_body_deriv(double *) (defined in sc::UHF) | sc::UHF | `[protected, virtual]`
two_body_deriv_hf(double *grad, double exchange_fraction) (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected]`
two_body_energy(double &ec, double &ex) (defined in sc::UHF) | sc::UHF | `[virtual]`
UHF(StateIn &) (defined in sc::UHF) | sc::UHF |
UHF(const Ref< KeyVal > &) | sc::UHF |
unlock_ptr() const | sc::RefCount |
unmanage() | sc::RefCount | `[inline]`
UnrestrictedSCF(StateIn &) (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF |
UnrestrictedSCF(const Ref< KeyVal > &) (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF |
use_locks(bool inVal) | sc::RefCount |
user_occupations_ (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF | `[protected]`
value() | sc::Function | `[virtual]`
value_ | sc::Function | `[protected]`
value_implemented() const | sc::UHF | `[virtual]`
value_needed() const | sc::Function |
value_result() (defined in sc::Function) | sc::Function | `[inline]`
Wavefunction(StateIn &) (defined in sc::Wavefunction) | sc::Wavefunction |
Wavefunction(const Ref< KeyVal > &) | sc::Wavefunction |
Write enum value (defined in sc::SCF) | sc::SCF | `[protected]`
x_ | sc::Function | `[protected]`
x_to_molecule() (defined in sc::MolecularEnergy) | sc::MolecularEnergy | `[protected]`
~Compute() (defined in sc::Compute) | sc::Compute | `[virtual]`
~DescribedClass() (defined in sc::DescribedClass) | sc::DescribedClass | `[virtual]`
~Function() (defined in sc::Function) | sc::Function | `[virtual]`
~Identity() (defined in sc::Identity) | sc::Identity | `[virtual]`
~MolecularEnergy() (defined in sc::MolecularEnergy) | sc::MolecularEnergy |
~OneBodyWavefunction() (defined in sc::OneBodyWavefunction) | sc::OneBodyWavefunction |
~RefCount() (defined in sc::RefCount) | sc::RefCount | `[virtual]`
~SavableState() (defined in sc::SavableState) | sc::SavableState | `[virtual]`
~SCF() (defined in sc::SCF) | sc::SCF |
~UHF() (defined in sc::UHF) | sc::UHF |
~UnrestrictedSCF() (defined in sc::UnrestrictedSCF) | sc::UnrestrictedSCF |
~Wavefunction() (defined in sc::Wavefunction) | sc::Wavefunction | `[virtual]`