#include <efc.h>
Inheritance diagram for sc::EFCOpt:
Public Member Functions | |
EFCOpt (const Ref< KeyVal > &) | |
The KeyVal constructor reads the following keywords:. | |
EFCOpt (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 | apply_transform (const Ref< NonlinearTransform > &) |
void | init () |
Initialize the optimizer. | |
int | update () |
Take a step. | |
Protected Attributes | |
int | tstate |
int | modef |
double | maxabs_gradient |
double | convergence_ |
double | accuracy_ |
RefSymmSCMatrix | hessian_ |
Ref< HessianUpdate > | update_ |
RefSCVector | last_mode_ |
Comput. Chem., Vol 7, No 4, 385-395, 1986.
The KeyVal constructor reads the following keywords:.
update
transition_state
mode_following
hessian
accuracy
void sc::EFCOpt::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::EFCOpt::update | ( | ) | [virtual] |