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MPQC
2.3.1
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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. More... | |
| void | init () |
| Initialize the optimizer. | |
| int | update () |
| Take a step. More... | |
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: More... | |
| 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. More... | |
| virtual int | optimize () |
| Do the optimization. More... | |
| 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. More... | |
| 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. More... | |
| virtual void | save_vbase_state (StateOut &) |
| Save the virtual bases for the object. More... | |
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. More... | |
| 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. More... | |
| 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. More... | |
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. More... | |
| 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. More... | |
Protected Member Functions inherited from sc::RefCount | |
| RefCount (const RefCount &) | |
| RefCount & | operator= (const RefCount &) |
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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.
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virtual |