actual_value_accuracy() const | sc::PsiSCF_RefWavefunction | inlinevirtual |
basis() const (defined in sc::RefWavefunction) | sc::RefWavefunction | inline |
class_desc() const MPQC__NOEXCEPT | sc::DescribedClass | |
class_name() const | sc::DescribedClass | |
class_version() const | sc::DescribedClass | |
core_hamiltonian_for_basis(const Ref< GaussianBasisSet > &basis, const Ref< GaussianBasisSet > &p_basis) | sc::PsiSCF_RefWavefunction | virtual |
dereference() | sc::RefCount | inline |
DescribedClass() (defined in sc::DescribedClass) | sc::DescribedClass | |
DescribedClass(const DescribedClass &) (defined in sc::DescribedClass) | sc::DescribedClass | |
desired_value_accuracy() const | sc::PsiSCF_RefWavefunction | inlinevirtual |
desired_value_accuracy_set_to_default() const | sc::PsiSCF_RefWavefunction | inlinevirtual |
dfinfo() const | sc::PsiSCF_RefWavefunction | virtual |
dir_restore_state(StateIn &si, const char *objectname, const char *keyword=0) (defined in sc::SavableState) | sc::SavableState | static |
dk() const | sc::PsiSCF_RefWavefunction | inlinevirtual |
energy() | sc::PsiSCF_RefWavefunction | inlinevirtual |
force_average_AB_rdm1_ | sc::RefWavefunction | protected |
identifier() const | sc::RefCount | inline |
init() const | sc::RefWavefunction | protected |
integral() const (defined in sc::RefWavefunction) | sc::RefWavefunction | inline |
key_restore_state(StateIn &si, const char *keyword) | sc::SavableState | static |
lock_ptr() const | sc::RefCount | |
magnetic_moment() const | sc::PsiSCF_RefWavefunction | inlinevirtual |
managed() const (defined in sc::RefCount) | sc::RefCount | inline |
momentum_basis() const | sc::PsiSCF_RefWavefunction | inlinevirtual |
nelectron() const | sc::PsiSCF_RefWavefunction | inlinevirtual |
nfzc() const (defined in sc::PsiSCF_RefWavefunction) | sc::PsiSCF_RefWavefunction | inline |
nfzv() const (defined in sc::PsiSCF_RefWavefunction) | sc::PsiSCF_RefWavefunction | inline |
nreference() const | sc::RefCount | inline |
obsolete() | sc::RefWavefunction | virtual |
occ(SpinCase1 spin=AnySpinCase1) const | sc::RefWavefunction | |
occ_act(SpinCase1 spin=AnySpinCase1) const | sc::RefWavefunction | |
occ_act_sb(SpinCase1 spin=AnySpinCase1) const | sc::RefWavefunction | |
occ_frz(SpinCase1 spin=AnySpinCase1) const | sc::RefWavefunction | |
occ_frz_sb(SpinCase1 spin=AnySpinCase1) const | sc::RefWavefunction | |
occ_sb(SpinCase1 spin=AnySpinCase1) const | sc::RefWavefunction | |
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 | inlineprotected |
orbs(SpinCase1 spin=AnySpinCase1) const | sc::RefWavefunction | |
orbs_sb(SpinCase1 spin=AnySpinCase1) const | sc::RefWavefunction | |
ordm(SpinCase1 spin) const | sc::PsiSCF_RefWavefunction | virtual |
ordm_occ_sb(SpinCase1 spin) const | sc::RefWavefunction | virtual |
ordm_orbs_sb(SpinCase1 spin) const | sc::RefWavefunction | virtual |
oso_space() const | sc::RefWavefunction | |
print(std::ostream &os=ExEnv::out0()) const | sc::PsiSCF_RefWavefunction | virtual |
PsiSCF_RefWavefunction(const Ref< WavefunctionWorld > &world, const Ref< PsiSCF > &scf, bool spin_restricted=true, unsigned int nfzc=0, unsigned int nfzv=0, Ref< OrbitalSpace > vir_space=0) | sc::PsiSCF_RefWavefunction | |
PsiSCF_RefWavefunction(StateIn &) (defined in sc::PsiSCF_RefWavefunction) | sc::PsiSCF_RefWavefunction | |
purge() | sc::RefWavefunction | virtual |
ref() | sc::DescribedClass | inline |
RefCount() (defined in sc::RefCount) | sc::RefCount | inlineprotected |
RefCount(const RefCount &) (defined in sc::RefCount) | sc::RefCount | inlineprotected |
reference() | sc::RefCount | inline |
RefWavefunction(const Ref< KeyVal > &kv) | sc::RefWavefunction | protected |
RefWavefunction(StateIn &) (defined in sc::RefWavefunction) | sc::RefWavefunction | protected |
RefWavefunction(const Ref< WavefunctionWorld > &world, const Ref< GaussianBasisSet > &basis, const Ref< Integral > &integral, bool use_world_df=false) | sc::RefWavefunction | protected |
reset() | sc::RefWavefunction | protectedvirtual |
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::PsiSCF_RefWavefunction | 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 |
scf() const (defined in sc::PsiSCF_RefWavefunction) | sc::PsiSCF_RefWavefunction | inline |
sdref() const | sc::PsiSCF_RefWavefunction | inlinevirtual |
set_desired_value_accuracy(double) | sc::RefWavefunction | |
spin_polarized() const | sc::RefWavefunction | inline |
spin_restricted() const (defined in sc::PsiSCF_RefWavefunction) | sc::PsiSCF_RefWavefunction | inline |
spinspaces_ (defined in sc::RefWavefunction) | sc::RefWavefunction | mutableprotected |
unlock_ptr() const | sc::RefCount | |
unmanage() | sc::RefCount | inline |
uocc(SpinCase1 spin=AnySpinCase1) const | sc::RefWavefunction | |
uocc_act(SpinCase1 spin=AnySpinCase1) const | sc::RefWavefunction | |
uocc_act_sb(SpinCase1 spin=AnySpinCase1) const | sc::RefWavefunction | |
uocc_basis() const | sc::PsiSCF_RefWavefunction | inlinevirtual |
uocc_sb(SpinCase1 spin=AnySpinCase1) const | sc::RefWavefunction | |
use_locks(bool inVal) | sc::RefCount | |
use_world_dfinfo() const | sc::RefWavefunction | inlineprotected |
valence_orbs() const | sc::RefWavefunction | |
vir_space() const (defined in sc::PsiSCF_RefWavefunction) | sc::PsiSCF_RefWavefunction | inline |
world() const (defined in sc::RefWavefunction) | sc::RefWavefunction | inline |
~DescribedClass() (defined in sc::DescribedClass) | sc::DescribedClass | virtual |
~PsiSCF_RefWavefunction() (defined in sc::PsiSCF_RefWavefunction) | sc::PsiSCF_RefWavefunction | |
~RefCount() (defined in sc::RefCount) | sc::RefCount | virtual |
~RefWavefunction() (defined in sc::RefWavefunction) | sc::RefWavefunction | |
~SavableState() (defined in sc::SavableState) | sc::SavableState | virtual |