[sdpd] GRINSP update

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

Hi,

The GRINSP software proposes more hypothetical
inorganic compounds in less time, due to optimizations
of the prediction algorithm.

A new parameter (Rdt0) controlled by the user allows to
examine preferably the candidate structures having
more chances to lead to optimized models.

The list of 230 space group is now completed in the
wyckoff.txt file.

Statistics are provided, giving the number of runs, the
number of structure candidates for R < Rdt0 and the
number of optimized models.

Some bugs were corrected.

http://www.cristal.org/grinsp/

Best wishes,

Armel




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