20 #ifndef JDFTX_ELECTRONIC_BANDMINIMIZER_H 21 #define JDFTX_ELECTRONIC_BANDMINIMIZER_H 23 #include <electronic/common.h> 25 #include <electronic/ColumnBundle.h>
double compute(ColumnBundle *grad)
Returns the objective function at the current state and store the gradient in grad, if non-null.
ColumnBundle precondition(const ColumnBundle &grad)
Definition: BandMinimizer.h:27
ColumnBundle Kgrad
Quantum number of the subspace that is being minimized.
Definition: BandMinimizer.h:40
void constrain(ColumnBundle &)
Definition: Everything.h:41
Definition: ElecVars.h:30
Nonlinear minimization templates.
Definition: Minimize.h:45
void step(const ColumnBundle &dir, double alpha)
Move the state in parameter space along direction dir with scale alpha.
Definition: ColumnBundle.h:30