BandMinimizer Class Reference

Inheritance diagram for BandMinimizer:

Public Member Functions
	BandMinimizer (Everything &e, int qActive, bool precond=true)
double	compute (ColumnBundle *grad)
	Returns the objective function at the current state and store the gradient in grad, if non-null.
void	step (const ColumnBundle &dir, double alpha)
	Move the state in parameter space along direction dir with scale alpha.
ColumnBundle	precondition (const ColumnBundle &grad)
bool	report (int iter)
void	constrain (ColumnBundle &)
Public Member Functions inherited from Minimizable< ColumnBundle >
virtual double	sync (double x) const
	Override to synchronize scalars over MPI processes (if the same minimization is happening in sync over many processes)
double	minimize (const MinimizeParams &params)
	Minimize this objective function with algorithm controlled by params and return the minimized value.
void	fdTest (const MinimizeParams &params)

Public Attributes
int	qActive
ColumnBundle	Kgrad
	Quantum number of the subspace that is being minimized.

Member Function Documentation

void BandMinimizer::constrain ( ColumnBundle &  )

virtual

Constrain an arbitrary vector to the space of free directions for minimize. Used only to generate a random direction for fdTest within the valid minimization subspace.

Reimplemented from Minimizable< ColumnBundle >.

ColumnBundle BandMinimizer::precondition ( const ColumnBundle &  grad )

virtual

Override to enable preconditioning: return the preconditioned gradient, given the gradient The last call to compute() is guaranteed to be at the same position, so a cached result may be returned

Reimplemented from Minimizable< ColumnBundle >.

bool BandMinimizer::report ( int  iter )

virtual

Override for optional processing/reporting after each/every few iterations It should return whether the state was modified

Reimplemented from Minimizable< ColumnBundle >.

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The documentation for this class was generated from the following file:

• electronic/BandMinimizer.h