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MPQC
3.0.0-alpha
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This is the complete list of members for sc::MolecularCoor, including all inherited members.
| change_coordinates() | sc::MolecularCoor | virtual |
| class_desc() const MPQC__NOEXCEPT | sc::DescribedClass | |
| class_name() const | sc::DescribedClass | |
| class_version() const | sc::DescribedClass | |
| debug_ (defined in sc::MolecularCoor) | sc::MolecularCoor | protected |
| dereference() | sc::RefCount | inline |
| DescribedClass() (defined in sc::DescribedClass) | sc::DescribedClass | |
| DescribedClass(const DescribedClass &) (defined in sc::DescribedClass) | sc::DescribedClass | |
| dim()=0 | sc::MolecularCoor | pure virtual |
| dim_natom3() | sc::MolecularCoor | inline |
| dir_restore_state(StateIn &si, const char *objectname, const char *keyword=0) (defined in sc::SavableState) | sc::SavableState | static |
| dnatom3_ (defined in sc::MolecularCoor) | sc::MolecularCoor | protected |
| guess_hessian(RefSymmSCMatrix &hessian)=0 | sc::MolecularCoor | pure virtual |
| identifier() const | sc::RefCount | inline |
| inverse_hessian(RefSymmSCMatrix &)=0 | sc::MolecularCoor | pure virtual |
| key_restore_state(StateIn &si, const char *keyword) | sc::SavableState | static |
| lock_ptr() const | sc::RefCount | |
| managed() const (defined in sc::RefCount) | sc::RefCount | inline |
| matrixkit() const (defined in sc::MolecularCoor) | sc::MolecularCoor | inline |
| matrixkit_ (defined in sc::MolecularCoor) | sc::MolecularCoor | protected |
| MolecularCoor(Ref< Molecule > &) (defined in sc::MolecularCoor) | sc::MolecularCoor | |
| MolecularCoor(StateIn &) (defined in sc::MolecularCoor) | sc::MolecularCoor | |
| MolecularCoor(const Ref< KeyVal > &) | sc::MolecularCoor | |
| molecule() const | sc::MolecularCoor | inline |
| molecule_ (defined in sc::MolecularCoor) | sc::MolecularCoor | protected |
| nconstrained() | sc::MolecularCoor | virtual |
| nreference() const | sc::RefCount | inline |
| 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 |
| print(std::ostream &=ExEnv::out0()) const =0 | sc::MolecularCoor | pure virtual |
| print_simples(std::ostream &=ExEnv::out0()) const =0 (defined in sc::MolecularCoor) | sc::MolecularCoor | pure 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 |
| 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::MolecularCoor | 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 |
| to_cartesian(const RefSCVector &internal) | sc::MolecularCoor | |
| to_cartesian(const Ref< Molecule > &mol, const RefSCVector &internal)=0 (defined in sc::MolecularCoor) | sc::MolecularCoor | pure virtual |
| to_cartesian(RefSCVector &cartesian, RefSCVector &internal)=0 | sc::MolecularCoor | pure virtual |
| to_cartesian(RefSymmSCMatrix &cartesian, RefSymmSCMatrix &internal)=0 | sc::MolecularCoor | pure virtual |
| to_internal(RefSCVector &internal)=0 | sc::MolecularCoor | pure virtual |
| to_internal(RefSCVector &internal, RefSCVector &cartesian)=0 | sc::MolecularCoor | pure virtual |
| to_internal(RefSymmSCMatrix &internal, RefSymmSCMatrix &cartesian)=0 | sc::MolecularCoor | pure virtual |
| unlock_ptr() const | sc::RefCount | |
| unmanage() | sc::RefCount | inline |
| use_locks(bool inVal) | sc::RefCount | |
| ~DescribedClass() (defined in sc::DescribedClass) | sc::DescribedClass | virtual |
| ~MolecularCoor() (defined in sc::MolecularCoor) | sc::MolecularCoor | virtual |
| ~RefCount() (defined in sc::RefCount) | sc::RefCount | virtual |
| ~SavableState() (defined in sc::SavableState) | sc::SavableState | virtual |