Conjugate gradients eigen-solver. More...

#include <BandMinimizer.h>

Inheritance diagram for BandMinimizer:

Public Member Functions
	BandMinimizer (Everything &e, int q)
	Construct band-structure minimizer for quantum number q.

double	compute (ColumnBundle grad, ColumnBundle Kgrad)
	Returns the objective function at the current state and store the gradient in grad and preconditioned gradient in Kgrad, if non-null.

void	step (const ColumnBundle &dir, double alpha)
	Move the state in parameter space along direction dir with scale alpha.

void	constrain (ColumnBundle &)
	Constrain search directions to the space of free directions for minimize.

Public Member Functions inherited from Minimizable< ColumnBundle >
virtual bool	report (int iter)

virtual double	sync (double x) const
	Override to synchronize scalars over MPI processes (if the same minimization is happening in sync over many processes)

virtual double	safeStepSize (const ColumnBundle &dir) const
	Override to return maximum safe step size along a given direction. Steps can be arbitrarily large by default.

double	minimize (const MinimizeParams &params)
	Minimize this objective function with algorithm controlled by params and return the minimized value.

void	fdTest (const MinimizeParams &params)

Detailed Description

Conjugate gradients eigen-solver.

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

Public Member Functions