XD modifications and bug-fixes
Revision 5.34 (XD2006) - Released 5th March 2007
(a) Minor bug fixes to XDGEOM and XDPROP
Revision 5.33 (XD2006) - Released 28th February 2007
(a) Minor bug fixes to TOPXD (affecting viz3d) and XDPROP
(affecting parameter MAXNCP in CPSEARCH)
Revision 5.32 (XD2006) - Released 6th February 2007
(a) Correction to lattice energies for molecules lying on
a symmetry element. New approach to define lattice
(b) Correction to FOUR option in XDLSM. Changes to XDFOUR
and XDFFT - these now use exactly the same coefficients
and phases for the same mod1/mod2 options. An extra
record for F(000) added to xd.fou file is included in
(c) Fixed automatic recognition of anharmonic parameter
type, i.e. either Uijk (old parameter files) or Cijk.
(d) Some minor cosmetic changes to output file formats.
(e) Time limited demo version for Windows (console). This
requires a key file.
Revision 5.02b (XD2006) - Released 18th October 2006
(a) Minor bug fixes for compilation on SUN and SGI platforms.
Revision 5.01c (XD2006) - Released 8th October 2006
(a) Minor bug fixes in XDINI for SHELX input.
(b) Correction of Ueq calculated in XDLSM and XDGEOM.
Revision 5.00 (XD2006) - Released 4 October 2006
Numerous new features have been added to XDPROP, and the new
program XDPDF has been added. The new features are detailed
in the program manual. A number of small, mainly cosmetic,
changes to the program outputs.
Revision 4.10 - Released 24 July 2003
A serious bug in XDFOUR and several minor bugs were fixed.
(a) XDFOUR could give incorrect function values for non
centrosymmetric structures due to a fault in the sort
routine. Another bug in routine plotco, which caused a
segmentation fault for RedHat8.0 when using the *cryst
option without selected atoms was also fixed.
(b) XDPROP - the *iam model only worked for the asymmetric unit.
(c) XDPROP - the centre of mass was incorrectly computed when
symmetry related atoms were added.
(d) XDFFT used to write an illegal CIF if no compid was given
on the command line.
(e) a work-about for the failure of the hardcopy option in
XDGRAPH (OpenGL driver) for some Revisions of Linux is
given in the program manual,available from this link.
Revision 4.09 - Released 23 May 2003