[Rings-code-news] A new version of the R.I.N.G.S. code has been released !

[Sébastien Le R. <seb...@ip...>]

A new version (v1.2.5) of the R.I.N.G.S. code has been released !
Check it out on the download page:

http://rings-code.sourceforge.net/index.php?option=com_content&view=category&layout=blog&id=34&Itemid=57   


What's new in v1.2.5:

* New exact X-rays structure factor, Q point dependent calculation,
  the Q point dependent form factors are now calculate according to:
  "X-ray scattering factors computed from numerical Hartree-Fock wave functions"
  D. T. Cromer and J. B. Mann,/Acta. Cryst./,*A24*:321 (1968).
  The old atomic number based approximate calculation remains available,
  the option has to be selected in the 'parameters.F90' file are requires
  re-compilation.

* Bug correction in the MPI parallelization, however this bug only affected
  the calculation when the number of MD steps was smaller than the number of CPU

* Bug correction for the OSX users, that should now add the '-DOSX' flag to
   the FCLAGS variable on the configure command line.

* Few bug corrections


Enjoy !

-- 
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Dr. Sébastien Le Roux
Ingénieur de Recherche CNRS
Institut de Physique et Chimie des Matériaux de Strasbourg
Département des Matériaux Organiques
23, rue du Loess
BP 43
F-67034 Strasbourg Cedex 2, France
E-mail: seb...@ip...
Webpage: http://www-ipcms.u-strasbg.fr/spip.php?article1771
RINGS project: http://rings-code.sourceforge.net/
ISAACS project: http://isaacs.sourceforge.net/
Fax:   +33 3 88 10 72 46
Phone: +33 3 88 10 71 62
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