MPQC  2.3.1
Public Member Functions | Protected Attributes
sc::GDIISOpt Class Reference
Inheritance diagram for sc::GDIISOpt:
sc::Optimize sc::SavableState sc::DescribedClass sc::RefCount sc::Identity

List of all members.

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:
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< Functionfunction () const
 Returns information about the Function being optimized.
Ref< SCMatrixKitmatrixkit () const
RefSCDimension dimension () const
- Public Member Functions inherited from sc::SavableState
SavableStateoperator= (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 &)
DescribedClassoperator= (const DescribedClass &)
ClassDescclass_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_
RefSCVectorcoords_
RefSCVectorgrad_
RefSCVectorerror_
RefSymmSCMatrix ihessian_
Ref< HessianUpdateupdate_
- Protected Attributes inherited from sc::Optimize
int max_iterations_
int n_iterations_
int ckpt_
int print_timings_
double max_stepsize_
char * ckpt_file
Ref< Functionfunction_
Ref< Convergenceconv_

Member Function Documentation

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::Optimize.

int sc::GDIISOpt::update ( )
virtual

Take a step.

Returns 1 if the optimization has converged, otherwise 0.

Implements sc::Optimize.


The documentation for this class was generated from the following file:

Generated at Tue Aug 7 2012 07:58:18 for MPQC 2.3.1 using the documentation package Doxygen 1.8.1.1.