* Step-size control has been add to the Broyden optimizers (Standard, ZM, and Cell-only). There is no theoretical justification for this procedure, so the Hessian is not likely to improve very much... it is probably best to combine a size-limited CG series with another small-Jinv Broyden series.
* New FORCE_STRESS for direct output of the energy, forces, and stress (in internal Siesta units).
* Re-implemented the FIRE optimization algorithm, both for geometry and (experimentally) for SCF.
The advantages for the SCF mixing are:
* Trivial algorithm (also in parallel) * Initial dt can be just set to alpha. * Adaptive changes to alpha. * There should be no need for kicks.
(Set DM.FIRE.Mixing to T to enable) Could also set DM.Fire.Nmin to 2, 3, 4 instead of the default 5 (Actually, this number could be akin to the DM.Number{Pulay,Broyden}...)
* Added .make files for opterons and matgas cluster at ICMAB in parallel.
* Compilation fixes(uncovered by a new version of g95)