table of contents
| sc::NonlinearTransform(3) | MPQC | 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_
Additional Inherited Members¶
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¶
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| Sun Oct 4 2020 | Version 2.3.1 |