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| BandMinimizer (Everything &e, int q) |
| Construct band-structure minimizer for quantum number q.
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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.
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void | step (const ColumnBundle &dir, double alpha) |
| Move the state in parameter space along direction dir with scale alpha.
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void | constrain (ColumnBundle &) |
| Constrain search directions to the space of free directions for minimize.
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virtual bool | report (int iter) |
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virtual double | sync (double x) const |
| Override to synchronize scalars over MPI processes (if the same minimization is happening in sync over many processes)
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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.
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double | minimize (const MinimizeParams ¶ms) |
| Minimize this objective function with algorithm controlled by params and return the minimized value.
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void | fdTest (const MinimizeParams ¶ms) |
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The documentation for this class was generated from the following file: