[Objcryst-foxx] Fox v1.3 test version
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vincefn
From: Vincent Favre-N. <vi...@us...> - 2003-01-08 23:24:55
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=09Happy new year ! There's a new version of Fox upcoming. I put test versions before the=20 holidays (precompiled and source packages) in the usual 'test' directory: ftp://ftp.unige.ch/pub/soft/crystal/fox/test/ It would be great if you had time to test these packages, and report a= ny=20 success of failure with them. I'll make the new release next week if=20 everything goes OK. I did not want initially to make a new release before the next major=20 changes upcoming, but the serious spg bug required a fix... Changelog #### 1.3 - december 2002 NEW FEATURES * Added scattering power for a sphere, e.g. to modelize a disordered fullerene. * Added the option to use pseudo-crystallographic symmetry in a Crystal structure (i.e. use a spacegroup which is not allowed by the unit cell). Could be useful for phase transitions. * Added data format for FullProf formats 4 (synchrotron) and=20 6 (multi-detector, LLB G42) * Now more than 100 atoms can be displayed in a ZScatterer unit. * Added the ability to set relative limits on all scatterer translations from their current positions. * Added the ability to run Fox without the graphical interface, once all objects to be optimized have been setup and saved in a xml file (see the reference part of the manual). =20 BUG FIXES * Fix serious bug in the dtermination of systematic extinctions, which lead to missing reflections for (body|face)-centered spacegroups with a center of symmetry not on the origin (e.g. for Fd3m (Si,...)) * Fixed various bugs in the display and update of powder patterns --=20 Vincent Favre-Nicolin Universit=E9 Joseph Fourier - Grenoble, France http://v.favrenicolin.free.fr ObjCryst & Fox : http://objcryst.sourceforge.net |