|
|
| 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.
|
| |
| 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 ¶ms) |
| | Minimize this objective function with algorithm controlled by params and return the minimized value.
|
| |
| void | fdTest (const MinimizeParams ¶ms) |
| |
The documentation for this class was generated from the following file: