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sc::NonlinearTransform(3) MPQC sc::NonlinearTransform(3)

sc::NonlinearTransform - The NonlinearTransform class transforms between two nonlinear coordinate systems.

#include <transform.h>

Inherits sc::RefCount.

Inherited by sc::IdentityTransform.


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.


RefSCMatrix linear_transform_

The NonlinearTransform class transforms between two nonlinear coordinate systems.

It is needed when a change of coordinates occurs in the middle of an optimization.

Transform the coordinates.

Implemented in sc::IdentityTransform.

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.

Transform the hessian to the new coordinate system. transform_gradient must be called first to initialize this routine.

Reimplemented in sc::IdentityTransform.

Transform the inverse of the hessian. transform_gradient must be called first to initialize this routine.

Reimplemented in sc::IdentityTransform.

Generated automatically by Doxygen for MPQC from the source code.
Tue Jun 7 2022 Version 2.3.1
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