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MolecularFrequencies Member List
This is the complete list of members for MolecularFrequencies, including all inherited members.
- animate(const Ref< Render > &, const Ref< MolFreqAnimate > &) (defined in MolecularFrequencies)
- bd3natom_ (defined in MolecularFrequencies)
[private]
- class_desc() const
- class_name() const
- class_version() const
- compute_frequencies(const RefSymmSCMatrix &xhessian)
- d3natom_ (defined in MolecularFrequencies)
[private]
- debug_ (defined in MolecularFrequencies)
[private]
- dereference()
[inline]
- DescribedClass() (defined in DescribedClass)
- DescribedClass(const DescribedClass &) (defined in DescribedClass)
- dir_restore_state(StateIn &si, const char *objectname, const char *keyword=0) (defined in SavableState)
[static]
- disym_ (defined in MolecularFrequencies)
[private]
- do_freq_for_irrep(int irrep, const RefDiagSCMatrix &m, const RefSymmSCMatrix &dhessian, const RefSCMatrix &dtranst) (defined in MolecularFrequencies)
[private]
- freq(int irrep, int i) const
[inline]
- freq_ (defined in MolecularFrequencies)
[private]
- identifier()
[inline]
- key_restore_state(StateIn &si, const char *keyword)
[static]
- kit_ (defined in MolecularFrequencies)
[private]
- lock_ptr() const
- managed() const (defined in RefCount)
[inline]
- managed() const
[inline]
- matrixkit() (defined in MolecularFrequencies)
[inline]
- mol_ (defined in MolecularFrequencies)
[private]
- MolecularFrequencies(const Ref< KeyVal > &)
- MolecularFrequencies(StateIn &) (defined in MolecularFrequencies)
- molecule() const
[inline]
- nfreq(int irrep) const
[inline]
- nfreq_ (defined in MolecularFrequencies)
[private]
- nirrep() const
[inline]
- nirrep_ (defined in MolecularFrequencies)
[private]
- normal_coordinates()
[inline]
- normco_ (defined in MolecularFrequencies)
[private]
- nreference() const
[inline]
- operator=(const SavableState &) (defined in SavableState)
- operator=(const DescribedClass &) (defined in DescribedClass)
- operator=(const RefCount &) (defined in RefCount)
[inline]
- pg_ (defined in MolecularFrequencies)
[private]
- print(std::ostream &=ExEnv::out()) const
[virtual]
- RefCount() (defined in RefCount)
[inline, protected]
- RefCount(const RefCount &) (defined in RefCount)
[inline, protected]
- reference()
[inline]
- restore_state(StateIn &si)
[static]
- SavableState() (defined in SavableState)
[protected]
- SavableState(const SavableState &) (defined in SavableState)
[protected]
- SavableState(StateIn &)
[protected]
- save_data_state(StateOut &)
[virtual]
- save_object_state(StateOut &)
- save_state(StateOut &)
- save_state(SavableState *s, StateOut &) (defined in SavableState)
[static]
- save_vbase_state(StateOut &)
[virtual]
- symkit_ (defined in MolecularFrequencies)
[private]
- symmatrixkit() (defined in MolecularFrequencies)
[inline]
- thermochemistry(int degeneracy, double temp=298.15, double pres=1.0)
- unlock_ptr() const
- unmanage()
[inline]
- use_locks(bool inVal)
- ~DescribedClass() (defined in DescribedClass)
[virtual]
- ~Identity() (defined in Identity)
[virtual]
- ~MolecularFrequencies() (defined in MolecularFrequencies)
- ~RefCount() (defined in RefCount)
[virtual]
- ~SavableState() (defined in SavableState)
[virtual]
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