sc_GDIISOpt - Man Page

sc::GDIISOpt

Synopsis

Inherits sc::Optimize.

Public Member Functions

GDIISOpt (const Ref< KeyVal > &)
GDIISOpt (StateIn &)
void save_data_state (StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them.
void init ()
Initialize the optimizer.
int update ()
Take a step.

Public Member Functions inherited from sc::Optimize
Optimize (StateIn &)
Restore the state of a Function object.
Optimize (const Ref< KeyVal > &)
The KeyVal constructor reads the following information:
void save_data_state (StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them.
virtual int optimize ()
Do the optimization.
void set_checkpoint ()
Set up for checkpointing.
void set_checkpoint_file (const char *)
void set_function (const Ref< Function > &)
Set the function to be optimized.
void set_max_iterations (int)
Set the iteration limit.
virtual void apply_transform (const Ref< NonlinearTransform > &)
Ref< Function > function () const
Returns information about the Function being optimized.
Ref< SCMatrixKit > matrixkit () const
RefSCDimension dimension () const

Public Member Functions inherited from sc::SavableState
SavableState & operator= (const SavableState &)
void save_state (StateOut &)
Save the state of the object as specified by the StateOut object.
void save_object_state (StateOut &)
This can be used for saving state when the exact type of the object is known for both the save and the restore.
virtual void save_vbase_state (StateOut &)
Save the virtual bases for the object.

Public Member Functions inherited from sc::DescribedClass
DescribedClass (const DescribedClass &)
DescribedClass & operator= (const DescribedClass &)
ClassDesc * class_desc () const  throw ()
This returns the unique pointer to the ClassDesc corresponding to the given type_info object.
const char * class_name () const
Return the name of the object's exact type.
int class_version () const
Return the version of the class.
virtual void print (std::ostream &=ExEnv::out0()) const
Print the object.

Public Member Functions inherited from sc::RefCount
int lock_ptr () const
Lock this object.
int unlock_ptr () const
Unlock this object.
void use_locks (bool inVal)
start and stop using locks on this object
refcount_t nreference () const
Return the reference count.
refcount_t reference ()
Increment the reference count and return the new count.
refcount_t dereference ()
Decrement the reference count and return the new count.
int managed () const
void unmanage ()
Turn off the reference counting mechanism for this object.
int managed () const
Return 1 if the object is managed. Otherwise return 0.

Public Member Functions inherited from sc::Identity
Identifier identifier ()
Return the Identifier for this argument.

Protected Attributes

int nsave
int diis_iter
double maxabs_gradient
double convergence_
double accuracy_
RefSCVector * coords_
RefSCVector * grad_
RefSCVector * error_
RefSymmSCMatrix ihessian_
Ref< HessianUpdate > update_

Protected Attributes inherited from sc::Optimize
int max_iterations_
int n_iterations_
int ckpt_
int print_timings_
double max_stepsize_
char * ckpt_file
Ref< Function > function_
Ref< Convergence > conv_

Additional Inherited Members

Static Public Member Functions inherited from sc::SavableState

static void save_state (SavableState *s, StateOut &)
static SavableState * restore_state (StateIn &si)
Restores objects saved with save_state.
static SavableState * key_restore_state (StateIn &si, const char *keyword)
Like restore_state, but keyword is used to override values while restoring.
static SavableState * dir_restore_state (StateIn &si, const char *objectname, const char *keyword=0)

Protected Member Functions inherited from sc::SavableState
SavableState (const SavableState &)
SavableState (StateIn &)
Each derived class StateIn CTOR handles the restore corresponding to calling save_object_state, save_vbase_state, and save_data_state listed above.

Protected Member Functions inherited from sc::RefCount
RefCount (const RefCount &)
RefCount & operator= (const RefCount &)

Member Function Documentation

void sc::GDIISOpt::init () [virtual]

Initialize the optimizer.

Reimplemented from sc::Optimize.

void sc::GDIISOpt::save_data_state (StateOut & ) [virtual]

Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. This must be implemented by the derived class if the class has data.

Reimplemented from sc::SavableState.

int sc::GDIISOpt::update () [virtual]

Take a step. Returns 1 if the optimization has converged, otherwise 0.

Implements sc::Optimize.

Author

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Info

Version 2.3.1 MPQC