CartMolecularCoor(Ref< Molecule > &mol) (defined in sc::CartMolecularCoor) | sc::CartMolecularCoor | |
CartMolecularCoor(StateIn &) (defined in sc::CartMolecularCoor) | sc::CartMolecularCoor | |
CartMolecularCoor(const Ref< KeyVal > &) | sc::CartMolecularCoor | |
change_coordinates() | sc::MolecularCoor | [virtual] |
class_desc() const | 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() | sc::CartMolecularCoor | [virtual] |
dim_ (defined in sc::CartMolecularCoor) | sc::CartMolecularCoor | [protected] |
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) | sc::CartMolecularCoor | [virtual] |
identifier() | sc::Identity | [inline] |
init() | sc::CartMolecularCoor | [protected, virtual] |
inverse_hessian(RefSymmSCMatrix &) | sc::CartMolecularCoor | [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] |
managed() const | 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 | [inline, protected] |
print(std::ostream &=ExEnv::out0()) const | sc::CartMolecularCoor | [virtual] |
print_simples(std::ostream &=ExEnv::out0()) const (defined in sc::CartMolecularCoor) | sc::CartMolecularCoor | [virtual] |
RefCount() (defined in sc::RefCount) | sc::RefCount | [inline, protected] |
RefCount(const RefCount &) (defined in sc::RefCount) | sc::RefCount | [inline, protected] |
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::CartMolecularCoor | [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 Ref< Molecule > &, const RefSCVector &internal) (defined in sc::CartMolecularCoor) | sc::CartMolecularCoor | [virtual] |
to_cartesian(RefSCVector &cartesian, RefSCVector &internal) | sc::CartMolecularCoor | [virtual] |
to_cartesian(RefSymmSCMatrix &cart, RefSymmSCMatrix &internal) | sc::CartMolecularCoor | [virtual] |
sc::MolecularCoor::to_cartesian(const RefSCVector &internal) | sc::MolecularCoor | |
to_internal(RefSCVector &internal) | sc::CartMolecularCoor | [virtual] |
to_internal(RefSCVector &internal, RefSCVector &cartesian) | sc::CartMolecularCoor | [virtual] |
to_internal(RefSymmSCMatrix &internal, RefSymmSCMatrix &cart) | sc::CartMolecularCoor | [virtual] |
unlock_ptr() const | sc::RefCount | |
unmanage() | sc::RefCount | [inline] |
use_locks(bool inVal) | sc::RefCount | |
~CartMolecularCoor() (defined in sc::CartMolecularCoor) | sc::CartMolecularCoor | [virtual] |
~DescribedClass() (defined in sc::DescribedClass) | sc::DescribedClass | [virtual] |
~Identity() (defined in sc::Identity) | sc::Identity | [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] |