MPQC  3.0.0-alpha
sc::PsiSCF_RefWavefunction Member List

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

actual_value_accuracy() constsc::PsiSCF_RefWavefunctioninlinevirtual
basis() const (defined in sc::RefWavefunction)sc::RefWavefunctioninline
class_desc() const MPQC__NOEXCEPTsc::DescribedClass
class_name() constsc::DescribedClass
class_version() constsc::DescribedClass
core_hamiltonian_for_basis(const Ref< GaussianBasisSet > &basis, const Ref< GaussianBasisSet > &p_basis)sc::PsiSCF_RefWavefunctionvirtual
dereference()sc::RefCountinline
DescribedClass() (defined in sc::DescribedClass)sc::DescribedClass
DescribedClass(const DescribedClass &) (defined in sc::DescribedClass)sc::DescribedClass
desired_value_accuracy() constsc::PsiSCF_RefWavefunctioninlinevirtual
desired_value_accuracy_set_to_default() constsc::PsiSCF_RefWavefunctioninlinevirtual
dfinfo() constsc::PsiSCF_RefWavefunctionvirtual
dir_restore_state(StateIn &si, const char *objectname, const char *keyword=0) (defined in sc::SavableState)sc::SavableStatestatic
dk() constsc::PsiSCF_RefWavefunctioninlinevirtual
energy()sc::PsiSCF_RefWavefunctioninlinevirtual
force_average_AB_rdm1_sc::RefWavefunctionprotected
identifier() constsc::RefCountinline
init() constsc::RefWavefunctionprotected
integral() const (defined in sc::RefWavefunction)sc::RefWavefunctioninline
key_restore_state(StateIn &si, const char *keyword)sc::SavableStatestatic
lock_ptr() constsc::RefCount
magnetic_moment() constsc::PsiSCF_RefWavefunctioninlinevirtual
managed() const (defined in sc::RefCount)sc::RefCountinline
momentum_basis() constsc::PsiSCF_RefWavefunctioninlinevirtual
nelectron() constsc::PsiSCF_RefWavefunctioninlinevirtual
nfzc() const (defined in sc::PsiSCF_RefWavefunction)sc::PsiSCF_RefWavefunctioninline
nfzv() const (defined in sc::PsiSCF_RefWavefunction)sc::PsiSCF_RefWavefunctioninline
nreference() constsc::RefCountinline
obsolete()sc::RefWavefunctionvirtual
occ(SpinCase1 spin=AnySpinCase1) constsc::RefWavefunction
occ_act(SpinCase1 spin=AnySpinCase1) constsc::RefWavefunction
occ_act_sb(SpinCase1 spin=AnySpinCase1) constsc::RefWavefunction
occ_frz(SpinCase1 spin=AnySpinCase1) constsc::RefWavefunction
occ_frz_sb(SpinCase1 spin=AnySpinCase1) constsc::RefWavefunction
occ_sb(SpinCase1 spin=AnySpinCase1) constsc::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::RefCountinlineprotected
orbs(SpinCase1 spin=AnySpinCase1) constsc::RefWavefunction
orbs_sb(SpinCase1 spin=AnySpinCase1) constsc::RefWavefunction
ordm(SpinCase1 spin) constsc::PsiSCF_RefWavefunctionvirtual
ordm_occ_sb(SpinCase1 spin) constsc::RefWavefunctionvirtual
ordm_orbs_sb(SpinCase1 spin) constsc::RefWavefunctionvirtual
oso_space() constsc::RefWavefunction
print(std::ostream &os=ExEnv::out0()) constsc::PsiSCF_RefWavefunctionvirtual
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::RefWavefunctionvirtual
ref()sc::DescribedClassinline
RefCount() (defined in sc::RefCount)sc::RefCountinlineprotected
RefCount(const RefCount &) (defined in sc::RefCount)sc::RefCountinlineprotected
reference()sc::RefCountinline
RefWavefunction(const Ref< KeyVal > &kv)sc::RefWavefunctionprotected
RefWavefunction(StateIn &) (defined in sc::RefWavefunction)sc::RefWavefunctionprotected
RefWavefunction(const Ref< WavefunctionWorld > &world, const Ref< GaussianBasisSet > &basis, const Ref< Integral > &integral, bool use_world_df=false)sc::RefWavefunctionprotected
reset()sc::RefWavefunctionprotectedvirtual
restore_state(StateIn &si)sc::SavableStatestatic
SavableState() (defined in sc::SavableState)sc::SavableStateprotected
SavableState(const SavableState &) (defined in sc::SavableState)sc::SavableStateprotected
SavableState(StateIn &)sc::SavableStateprotected
save_data_state(StateOut &)sc::PsiSCF_RefWavefunctionvirtual
save_object_state(StateOut &)sc::SavableState
save_state(StateOut &)sc::SavableState
save_state(SavableState *s, StateOut &) (defined in sc::SavableState)sc::SavableStatestatic
save_vbase_state(StateOut &)sc::SavableStatevirtual
scf() const (defined in sc::PsiSCF_RefWavefunction)sc::PsiSCF_RefWavefunctioninline
sdref() constsc::PsiSCF_RefWavefunctioninlinevirtual
set_desired_value_accuracy(double)sc::RefWavefunction
spin_polarized() constsc::RefWavefunctioninline
spin_restricted() const (defined in sc::PsiSCF_RefWavefunction)sc::PsiSCF_RefWavefunctioninline
spinspaces_ (defined in sc::RefWavefunction)sc::RefWavefunctionmutableprotected
unlock_ptr() constsc::RefCount
unmanage()sc::RefCountinline
uocc(SpinCase1 spin=AnySpinCase1) constsc::RefWavefunction
uocc_act(SpinCase1 spin=AnySpinCase1) constsc::RefWavefunction
uocc_act_sb(SpinCase1 spin=AnySpinCase1) constsc::RefWavefunction
uocc_basis() constsc::PsiSCF_RefWavefunctioninlinevirtual
uocc_sb(SpinCase1 spin=AnySpinCase1) constsc::RefWavefunction
use_locks(bool inVal)sc::RefCount
use_world_dfinfo() constsc::RefWavefunctioninlineprotected
valence_orbs() constsc::RefWavefunction
vir_space() const (defined in sc::PsiSCF_RefWavefunction)sc::PsiSCF_RefWavefunctioninline
world() const (defined in sc::RefWavefunction)sc::RefWavefunctioninline
~DescribedClass() (defined in sc::DescribedClass)sc::DescribedClassvirtual
~PsiSCF_RefWavefunction() (defined in sc::PsiSCF_RefWavefunction)sc::PsiSCF_RefWavefunction
~RefCount() (defined in sc::RefCount)sc::RefCountvirtual
~RefWavefunction() (defined in sc::RefWavefunction)sc::RefWavefunction
~SavableState() (defined in sc::SavableState)sc::SavableStatevirtual

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