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sc::SumMolecularEnergy Member List

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

actual_gradient_accuracy() const (defined in sc::Function) | sc::Function | virtual
actual_hessian_accuracy() const (defined in sc::Function) | sc::Function | virtual
actual_value_accuracy() const | sc::Function | virtual
change_coordinates() | sc::MolecularEnergy | virtual
checkpoint_file() const (defined in sc::MolecularEnergy) | sc::MolecularEnergy |
checkpoint_freq() const (defined in sc::MolecularEnergy) | sc::MolecularEnergy |
class_desc() const | sc::DescribedClass |
class_name() const | sc::DescribedClass |
class_version() const | sc::DescribedClass |
coef_ (defined in sc::SumMolecularEnergy) | sc::SumMolecularEnergy | protected
compute() | sc::SumMolecularEnergy | protected virtual
Compute() (defined in sc::Compute) | sc::Compute |
dereference() | sc::RefCount | inline
DescribedClass() (defined in sc::DescribedClass) | sc::DescribedClass |
DescribedClass(const DescribedClass &) (defined in sc::DescribedClass) | sc::DescribedClass |
desired_gradient_accuracy() const (defined in sc::Function) | sc::Function | virtual
desired_hessian_accuracy() const (defined in sc::Function) | sc::Function | virtual
desired_value_accuracy() const | sc::Function | virtual
dim_ | sc::Function | protected
dimension() const | sc::Function |
dir_restore_state(StateIn &si, const char *objectname, const char *keyword=0) (defined in sc::SavableState) | sc::SavableState | static
do_change_coordinates(const Ref< NonlinearTransform > &) | sc::Function | protected
do_gradient(int) (defined in sc::Function) | sc::Function |
do_hessian(int) (defined in sc::Function) | sc::Function |
do_value(int) | sc::Function |
energy() | sc::MolecularEnergy | virtual
failure(const char *) (defined in sc::MolecularEnergy) | sc::MolecularEnergy | protected
Function() (defined in sc::Function) | sc::Function |
Function(StateIn &) (defined in sc::Function) | sc::Function |
Function(const Function &) (defined in sc::Function) | sc::Function |
Function(const Ref< KeyVal > &, double funcacc=DBL_EPSILON, double gradacc=DBL_EPSILON, double hessacc=DBL_EPSILON) | sc::Function |
get_cartesian_gradient() | sc::MolecularEnergy |
get_cartesian_hessian() | sc::MolecularEnergy |
get_cartesian_x() | sc::MolecularEnergy |
get_x() const (defined in sc::Function) | sc::Function | inline
get_x_no_copy() const (defined in sc::Function) | sc::Function | inline
get_x_reference() | sc::Function | inline protected
gradient() (defined in sc::Function) | sc::Function | virtual
gradient_ | sc::Function | protected
gradient_implemented() const (defined in sc::SumMolecularEnergy) | sc::SumMolecularEnergy | virtual
gradient_needed() const (defined in sc::Function) | sc::Function |
gradient_result() (defined in sc::Function) | sc::Function | inline
guess_hessian(RefSymmSCMatrix &) | sc::MolecularEnergy | virtual
hessian() | sc::MolecularEnergy | virtual
hessian_ | sc::Function | protected
hessian_implemented() const (defined in sc::SumMolecularEnergy) | sc::SumMolecularEnergy | virtual
hessian_needed() const (defined in sc::Function) | sc::Function |
hessian_result() (defined in sc::Function) | sc::Function | inline
identifier() | sc::Identity | inline
if_to_checkpoint() const | sc::MolecularEnergy |
initial_pg_ (defined in sc::MolecularEnergy) | sc::MolecularEnergy | protected
inverse_hessian(RefSymmSCMatrix &) (defined in sc::MolecularEnergy) | sc::MolecularEnergy | 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 | sc::Function |
matrixkit_ | sc::Function | protected
moldim() const (defined in sc::MolecularEnergy) | sc::MolecularEnergy | virtual
mole_ (defined in sc::SumMolecularEnergy) | sc::SumMolecularEnergy | protected
molecularcoor() (defined in sc::MolecularEnergy) | sc::MolecularEnergy | inline
MolecularEnergy(const MolecularEnergy &) (defined in sc::MolecularEnergy) | sc::MolecularEnergy |
MolecularEnergy(const Ref< KeyVal > &) | sc::MolecularEnergy |
MolecularEnergy(StateIn &) (defined in sc::MolecularEnergy) | sc::MolecularEnergy |
molecule() const (defined in sc::MolecularEnergy) | sc::MolecularEnergy | virtual
molecule_to_x() (defined in sc::MolecularEnergy) | sc::MolecularEnergy | protected
n_ (defined in sc::SumMolecularEnergy) | sc::SumMolecularEnergy | protected
nreference() const | sc::RefCount | inline
obsolete() | sc::Compute | virtual
operator=(const MolecularEnergy &) (defined in sc::MolecularEnergy) | sc::MolecularEnergy |
operator=(const Function &) (defined in sc::Function) | sc::Function |
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::MolecularEnergy | virtual
print_molecule_when_changed_ (defined in sc::MolecularEnergy) | sc::MolecularEnergy | protected
print_natom_3(const RefSCVector &, const char *t=0, std::ostream &o=ExEnv::out0()) const | sc::MolecularEnergy |
print_natom_3(double **, const char *t=0, std::ostream &o=ExEnv::out0()) const (defined in sc::MolecularEnergy) | sc::MolecularEnergy |
print_natom_3(double *, const char *t=0, std::ostream &o=ExEnv::out0()) const (defined in sc::MolecularEnergy) | sc::MolecularEnergy |
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::SumMolecularEnergy | 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
set_actual_gradient_accuracy(double) (defined in sc::Function) | sc::Function | protected virtual
set_actual_hessian_accuracy(double) (defined in sc::Function) | sc::Function | protected virtual
set_actual_value_accuracy(double) (defined in sc::Function) | sc::Function | protected virtual
set_checkpoint() | sc::MolecularEnergy |
set_checkpoint_file(const char *) (defined in sc::MolecularEnergy) | sc::MolecularEnergy |
set_checkpoint_freq(int freq) (defined in sc::MolecularEnergy) | sc::MolecularEnergy |
set_desired_gradient_accuracy(double) (defined in sc::Function) | sc::Function | virtual
set_desired_hessian_accuracy(double) (defined in sc::Function) | sc::Function | virtual
set_desired_value_accuracy(double) | sc::Function | virtual
set_dimension(const RefSCDimension &) (defined in sc::Function) | sc::Function | protected virtual
set_energy(double) | sc::MolecularEnergy | protected virtual
set_gradient(RefSCVector &) | sc::MolecularEnergy | protected virtual
set_hessian(RefSymmSCMatrix &) (defined in sc::MolecularEnergy) | sc::MolecularEnergy | protected virtual
set_matrixkit(const Ref< SCMatrixKit > &) | sc::Function | protected virtual
set_value(double) (defined in sc::Function) | sc::Function | protected virtual
set_x(const RefSCVector &) | sc::SumMolecularEnergy | virtual
SumMolecularEnergy(const Ref< KeyVal > &) (defined in sc::SumMolecularEnergy) | sc::SumMolecularEnergy |
SumMolecularEnergy(StateIn &) (defined in sc::SumMolecularEnergy) | sc::SumMolecularEnergy |
symmetry_changed() | sc::MolecularEnergy | virtual
unlock_ptr() const | sc::RefCount |
unmanage() | sc::RefCount | inline
use_locks(bool inVal) | sc::RefCount |
value() | sc::Function | virtual
value_ | sc::Function | protected
value_implemented() const | sc::SumMolecularEnergy | virtual
value_needed() const | sc::Function |
value_result() (defined in sc::Function) | sc::Function | inline
x_ | sc::Function | protected
x_to_molecule() (defined in sc::MolecularEnergy) | sc::MolecularEnergy | protected
~Compute() (defined in sc::Compute) | sc::Compute | virtual
~DescribedClass() (defined in sc::DescribedClass) | sc::DescribedClass | virtual
~Function() (defined in sc::Function) | sc::Function | virtual
~Identity() (defined in sc::Identity) | sc::Identity | virtual
~MolecularEnergy() (defined in sc::MolecularEnergy) | sc::MolecularEnergy |
~RefCount() (defined in sc::RefCount) | sc::RefCount | virtual
~SavableState() (defined in sc::SavableState) | sc::SavableState | virtual
~SumMolecularEnergy() (defined in sc::SumMolecularEnergy) | sc::SumMolecularEnergy |