[Objcryst-foxx] new test version of Fox 1.1.2 (Dyn Occup Correction mistake)
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vincefn
From: Vincent Favre-N. <vi...@us...> - 2002-02-26 22:07:47
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Hi all, Just saw this afternoon that the dynamical occupancy correction used wrong threshold values (2 Angstroems to begin correction, .8 to fully merge atoms). Changed this to normal values (1 and .1 Angstroems), and updated the CVS. This would give wrong corrections for all compounds with bond distances below 2 A. So there is a new test version, at: ftp://ftp.unige.ch/pub/soft/crystal/fox/test/ If you can test the windows (.zip) version for obvious bugs, and tell me if it goes fine or not, before the official release (postponed to next week). Cheers, -- Vincent Favre-Nicolin ESRF- Grenoble, France http://v.favrenicolin.free.fr ObjCryst & Fox : http://objcryst.sourceforge.net |