[sdpd] ESPOIR 1.0 release

[Armel Le Bail <armel... @fluo.univ-lemans.fr>]

ESPOIR is a Reverse Monte Carlo code for ab initio crystal 
structure determination by fittting to "|Fobs|" extracted by 
powder diffratometry.

The new release, ESPOIR 1.0, includes many new possibilities :

- Choosing any space group, not only P1. 
- Annealing by reducing progressively the amplitude of atom moves.
- Accepting events that do not improve the fit that helps not getting
        trapped in false minima.
- Restarting automatically when false minima still exist.
- Optimization of the |F| calculation, saving time.
- New examples including the SDPD Round Robin sample I
  [Co(NH3)5CO3]NO3.H2O, and cimetidine C10H16N6S.

       http://www.cristal.org/sdpd/espoir/                  (USA)
or   http://www.cristal.org/sdpd/espoir/       (France)

Good luck !


Armel Le Bail - Universite du Maine, Laboratoire des Fluorures,
CNRS ESA 6010, Av. O. Messiaen, 72085 Le Mans Cedex 9, France
http://www.cristal.org/