[sdpd] To ESPOIR users, if any

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

Following many suggestions (from Lachlan Cranswick,
Jean-Marc Le Meins, thanks to them), the ESPOIR code
was modified for being slightly more user-friendly.

- It accepts now comment lines in the .dat file, provided they
   start by ! and the PRESPOIR program add automatically
   comments.
- the screen shows the run number as well as the previous
    best R factor.

Some bugs were corrected, and the speed was increased
by a factor 1.5 or even 2. in the case of using the reconstructed
powder pattern option (optimization in the profile2 subroutine).

http://www.cristal.org/sdpd/espoir/

Are there some experts in parallelizing Fortran code, and in
Beowulf clusters among the SDPD adepts ? Waiting days of
calculation may be discouraging, but the program would profit
"easily" of parallel calculations, even on a small cluster of
Intel or AMD processors.

Best,

Armel