[sdpd] McMaiile V1.0, -> orthorhombic

[Cristal <alb...@cristal.org>]

Hello,

The new McMaille indexing program progess a lot.

- Cells are searched in cubic, hexagonal, tetragonal and
   monoclinic,
- the Monte Carlo magics seems to work well,
- peak width enlarging adds some magics too so that
  even the grid search mode may work is relatively short
  times if the step is taken large (0.2-0.4 angstroms)
- a warning at the beginning of the job gives the estimated
  number of centuries needed for solving the problem. If too
  large, the user is advised to cancel ;-) but reasonable times
  may be proposed (10min for a typical 3-15A orthorhombic cell 
  on my Pentium 2.4GHz).
- Outputs for CHEKCELL (.ckm) and for WINPLOTR (.prf) are provided

This is encouraging so that monoclinic and triclinic options
will be enabled too soon (1 month ?).

Download that new version 1.00 at :
       http://www.cristal.org/ftp/McMaille.zip

A more explicit manual will be written. Some parameters
unusual to indexing experts have appeared...

Best,

Armel


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