[sdpd] Update : McMaille V2.0

[Armel Le Bail <alb...@cristal.org>]

Hello,

The new indexing program McMaille (Monte Carlo and grid search
+ Le Bail fitting of a pseudo-powder pattern) can now search for
cells in any crystal system.
                http://www.cristal.org/McMaille/
                http://www.cristal.org/McMaille/

The FORTRAN source code (quite short and documented) is in the
package, distributed under the GNU Public Licence.

Use your faster computer... Calculations can be quite long in
monoclinic and triclinic systems (so long that the grid search
was not implemented in triclinic - only MC - because you
would freeze your PC for millenaries ;-). If another guy than
Moore could invent a faster law, thanks to him. Meanwhile,
use first TREOR, DICVOL, ITO, CRYSFIRE (..), and if they do
not produce the true cell, try McMaille which has a good
tolerance to up to 10% impurities because the figure of merit
used is the pseudo-profile reliability factor Rp. Even if not
fast enough, McMaille can test 1000 cells per second on a
processor running at 2.4GHz, corresponding to 3000 Le Bail
fits.

Best regards,

Armel Le Bail 

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