04. 01. 2005
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Parameters for Ag(1)-Br added, param. for Cu(1)-Br adjusted
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12. 10. 2004
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Standard deviations (for positional parameters) specified in parentheses are now also tolerated by the SHELX file reader.
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16. 08. 2004
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bug fixes: GII in case of some neutral atoms in the structure (e.g. in TM complexes); treatment of intraction between a cation and an anion sharing the same site in a mixed crystal.
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02. 06. 2004
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BV-Parameters for Eu(2)-Br,I added.
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5. 02. 2004
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New version 0.96: Bug in extraction of Hall Space group symbols of some trigonal space groups
(containing a quotation mark) fixed.
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29. 01. 2004
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Misprints in BV-Parameters for Ag(2), Hg(2) and Yb(2) eliminated.
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27. 01. 2004
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CIF-to-SHELX conversion modified. The extensions " Z" and " S" for orthogonal HM space group names with
different possible origin choices in CIF-files from the ICSD database are now recognised also if the crystal
system is not given explicitely (e.g. in CIF files generated by the WWW edition of ICSD).
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04. 11. 2003
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Bugs in CIF-to-SHELX conversion caused by various non-standard CIF-File versions fixed.
The conversion program should now be able to handle cif-files produced by GSAS(that
contain double quotation marks, extensive comments and atomic positions after the geometrical details) as
well as CIF-Files where redundant cell constants are not specified.
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27. 07. 2003
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New version 0.95: The main change is the introduction of a partial equalization
in the BVP parameter b in compounds with different types of anions. The effectively used
parameter b is listed at the end of the output page (if an equalization is performed).
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14. 07. 2003
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Bug caused by SHELX files that contain lines consisting of exactly 1 "space" fixed.
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16. 04. 2003
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Bug in the symmetry database for hexagonal setting of space group 160 removed.
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26. 03. 2003
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Bug in the multiplicity determination for atoms on special positions in the hexagonal setting of rhombohedral space groups, if the site symmetry is not "obvious" from the atom positions (e.g. if 0.394 0.394 3/4 is listed as 0.0591 -0.2742 0.0833) eliminated by modifying both CIF-to-Shelx conversion and SHELX import program.
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03. 03. 2003
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CIF-to-Shelx conversion modified to enable the program to identify further monoclinic HM space group symbol variants
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| 19. 02. 2003 |
New beta version softBV0.93
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