MPQC
3.0.0-alpha
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The NonlinearTransform class transforms between two nonlinear coordinate systems. More...
#include <math/optimize/transform.h>
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. More... | |
virtual void | transform_hessian (const RefSymmSCMatrix &h) |
Transform the hessian to the new coordinate system. More... | |
virtual void | transform_ihessian (const RefSymmSCMatrix &ih) |
Transform the inverse of the hessian. More... | |
Public Member Functions inherited from sc::RefCount | |
size_t | identifier () const |
Return the unique identifier for this object that can be compared for different objects of different types. More... | |
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... | |
Protected Attributes | |
RefSCMatrix | linear_transform_ |
Additional Inherited Members | |
Protected Member Functions inherited from sc::RefCount | |
RefCount (const RefCount &) | |
RefCount & | operator= (const RefCount &) |
The NonlinearTransform class transforms between two nonlinear coordinate systems.
It is needed when a change of coordinates occurs in the middle of an optimization.
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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.
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virtual |
Transform the hessian to the new coordinate system.
transform_gradient must be called first to initialize this routine.
Reimplemented in sc::IdentityTransform.
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virtual |
Transform the inverse of the hessian.
transform_gradient must be called first to initialize this routine.
Reimplemented in sc::IdentityTransform.