sc::nonlineartransform(3)
NAME
sc::NonlinearTransform - The NonlinearTransform class transforms
between two nonlinear coordinate systems.
SYNOPSIS
#include <transform.h> Inherits sc::RefCount. Inherited by sc::IdentityTransform. Public Member Functions virtual void transform_coordinates (const RefSCVector &x)=0 Transform the coordinates. virtual void transform_gradient (const RefSCVector &g) Transform the gradient at a point in the new coordinate system. virtual void transform_hessian (const RefSymmSCMatrix &h) Transform the hessian to the new coordinate system. virtual void transform_ihessian (const RefSymmSCMatrix &ih) Transform the inverse of the hessian. Protected Attributes RefSCMatrix linear_transform_
Detailed Description
The NonlinearTransform class transforms between two nonlinear
coordinate systems.
It is needed when a change of coordinates occurs in the middle of an
optimization.
Member Function Documentation
- virtual void sc::NonlinearTransform::transform_gradient (const RefSCVector
- & g) [virtual]
Transform the gradient at a point in the new coordinate system. - transform_coordinates must be called first to give the point.
- Reimplemented in sc::IdentityTransform.
- virtual void sc::NonlinearTransform::transform_hessian (const
- RefSymmSCMatrix & h) [virtual] Transform the hessian to the new coordinate system.
- transform_gradient must be called first to initialize this routine.
- Reimplemented in sc::IdentityTransform.
- virtual void sc::NonlinearTransform::transform_ihessian (const
- RefSymmSCMatrix & ih) [virtual] Transform the inverse of the hessian.
- transform_gradient must be called first to initialize this routine.
- Reimplemented in sc::IdentityTransform.
Author
- Generated automatically by Doxygen for MPQC from the source code.