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IntMolecularCoor Member List
This is the complete list of members for IntMolecularCoor, including all inherited members.
- all_ (defined in IntMolecularCoor)
[protected] - all_to_cartesian(const Ref< Molecule > &,RefSCVector &internal)
[virtual] - all_to_internal(const Ref< Molecule > &,RefSCVector &internal)
[virtual] - bends_ (defined in IntMolecularCoor)
[protected] - bonds_ (defined in IntMolecularCoor)
[protected] - cartesian_tolerance_ (defined in IntMolecularCoor)
[protected] - change_coordinates()
[virtual] - class_desc() const
- class_name() const
- class_version() const
- constant_ (defined in IntMolecularCoor)
[protected] - coordinate_tolerance_ (defined in IntMolecularCoor)
[protected] - debug_ (defined in MolecularCoor)
[protected] - decouple_bends_ (defined in IntMolecularCoor)
[protected] - decouple_bonds_ (defined in IntMolecularCoor)
[protected] - dereference()
[inline] - DescribedClass() (defined in DescribedClass)
- DescribedClass(const DescribedClass &) (defined in DescribedClass)
- dim()
[virtual] - dim_ (defined in IntMolecularCoor)
[protected] - dim_natom3()
[inline] - dir_restore_state(StateIn &si, const char *objectname, const char *keyword=0) (defined in SavableState)
[static] - dnatom3_ (defined in MolecularCoor)
[protected] - dvc_ (defined in IntMolecularCoor)
[protected] - extra_bonds_ (defined in IntMolecularCoor)
[protected] - extras_ (defined in IntMolecularCoor)
[protected] - fixed_ (defined in IntMolecularCoor)
[protected] - followed_ (defined in IntMolecularCoor)
[protected] - form_coordinates(int keep_variable=0)=0
[pure virtual] - form_K_matrix(RefSCDimension &dredundant, RefSCDimension &dfixed, RefSCMatrix &K, int *&is_totally_symmetric) (defined in IntMolecularCoor)
[protected] - form_print_constant_ (defined in IntMolecularCoor)
[protected] - form_print_molecule_ (defined in IntMolecularCoor)
[protected] - form_print_simples_ (defined in IntMolecularCoor)
[protected] - form_print_variable_ (defined in IntMolecularCoor)
[protected] - generator_ (defined in IntMolecularCoor)
[protected] - given_fixed_values_ (defined in IntMolecularCoor)
[protected] - guess_hessian(RefSymmSCMatrix &hessian)=0
[pure virtual] - identifier()
[inline] - init()
[protected, virtual] - IntMolecularCoor(StateIn &) (defined in IntMolecularCoor)
- IntMolecularCoor(Ref< Molecule > &mol) (defined in IntMolecularCoor)
- IntMolecularCoor(const Ref< KeyVal > &)
- inverse_hessian(RefSymmSCMatrix &)=0
[pure virtual] - key_restore_state(StateIn &si, const char *keyword)
[static] - lock_ptr() const
- managed() const
[inline] - managed() const
[inline] - matrixkit() const (defined in MolecularCoor)
[inline] - matrixkit_ (defined in MolecularCoor)
[protected] - max_update_disp_ (defined in IntMolecularCoor)
[protected] - max_update_steps_ (defined in IntMolecularCoor)
[protected] - MolecularCoor(Ref< Molecule > &) (defined in MolecularCoor)
- MolecularCoor(StateIn &) (defined in MolecularCoor)
- MolecularCoor(const Ref< KeyVal > &)
- molecule() const
[inline] - molecule_ (defined in MolecularCoor)
[protected] - nconstrained()
[virtual] - new_coords()
[protected, virtual] - nextra_bonds_ (defined in IntMolecularCoor)
[protected] - nreference() const
[inline] - only_totally_symmetric_ (defined in IntMolecularCoor)
[protected] - operator=(const SavableState &) (defined in SavableState)
- operator=(const DescribedClass &) (defined in DescribedClass)
- operator=(const RefCount &) (defined in RefCount)
[inline, protected] - outs_ (defined in IntMolecularCoor)
[protected] - print(std::ostream &=ExEnv::out()) const
[virtual] - print_constant(std::ostream &=ExEnv::out()) const (defined in IntMolecularCoor)
[virtual] - print_simples(std::ostream &=ExEnv::out()) const (defined in IntMolecularCoor)
[virtual] - print_variable(std::ostream &=ExEnv::out()) const (defined in IntMolecularCoor)
[virtual] - read_keyval(const Ref< KeyVal > &)
[protected, 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] - scale_bends_ (defined in IntMolecularCoor)
[protected] - scale_bonds_ (defined in IntMolecularCoor)
[protected] - scale_outs_ (defined in IntMolecularCoor)
[protected] - scale_tors_ (defined in IntMolecularCoor)
[protected] - simple_tolerance_ (defined in IntMolecularCoor)
[protected] - symmetry_tolerance_ (defined in IntMolecularCoor)
[protected] - to_cartesian(const Ref< Molecule > &,const RefSCVector &internal) (defined in IntMolecularCoor)
[virtual] - to_cartesian(RefSCVector &cartesian, RefSCVector &internal)
[virtual] - to_cartesian(RefSymmSCMatrix &cart, RefSymmSCMatrix &internal)
[virtual] - MolecularCoor::to_cartesian(const RefSCVector &internal)
- to_internal(RefSCVector &internal)
[virtual] - to_internal(RefSCVector &internal, RefSCVector &cartesian)
[virtual] - to_internal(RefSymmSCMatrix &internal, RefSymmSCMatrix &cart)
[virtual] - tors_ (defined in IntMolecularCoor)
[protected] - unlock_ptr() const
- unmanage()
[inline] - update_bmat_ (defined in IntMolecularCoor)
[protected] - use_locks(bool inVal)
- variable_ (defined in IntMolecularCoor)
[protected] - watched_ (defined in IntMolecularCoor)
[protected] - ~DescribedClass() (defined in DescribedClass)
[virtual] - ~Identity() (defined in Identity)
[virtual] - ~IntMolecularCoor() (defined in IntMolecularCoor)
[virtual] - ~MolecularCoor() (defined in MolecularCoor)
[virtual] - ~RefCount() (defined in RefCount)
[virtual] - ~SavableState() (defined in SavableState)
[virtual]
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