Diamond Update Page
Version 4
The latest version is 4.6.8, released on April 2, 2022.
There are bug reports as well as an update available. Please find details
on the "Diamond Version 4 - Update Page".
Version 3
Crystal Impact continues support of the previous Diamond version. Please find details
on the "Diamond Version 3 - Update Page".
Latest update of version 2.1
This information refers to users of the "old" version 2.1 of Diamond:
Once you have obtained one or multiple DIAMOND licences, you should visit this
page from time to time. If any bugfixes or (minor) improvements are available,
you can download the concerning files from here. Check your current version
number first: if the number shown in the 'Help/About Diamond'
dialog is 2.1e, then you are up-to-date. Otherwise you should follow
these steps:
-
If DIAMOND is running, please close it.
-
Download the compressed update file by clicking on the link below.
-
Uncompress it into the DIAMOND program directory (normally
C:\Programs\Diamond2) using WinZip or similar tools. Existing files should be
overwritten.
-
Restart DIAMOND.
Download
patch21e.zip (September 28, 2001 - 3,731 KB)
What's new (version 2.1e)
-
September 28, 2001 - The following bugs of version 2.1d have been
removed in version 2.1e:
-
The function that searches for molecules, using a recursive search for
neighbouring atoms, had a maximum recursion depth of only 128 and displayed a
rather encryptic error message: "Maximum recursion depth encountered!". Now the
recursion depth is limited by 16384 and the message has been replaced.
-
The function that checks for file format did not initialize correctly in some
cases.
-
When deleting atoms from a structure picture by selecting them in the "list of
created atoms" in the right half of the Diamond window, the wrong atoms could
be deleted, if the atoms were not sorted for sequential numbers (default sort
order) but e.g. for increasing x-coordinates.
-
The amount of memory space used by the Edit/Undo and Redo function has been
reduced for the cases where only display options have changed, e.g. when
rotating a large structure picture stepwise using the keyboard.
-
The function "Edit/Select molecules" did not work properly under some
circumstances, if more than one atom has been selected.
-
There are now three instead of two commands in the Help menu that display pages
from the Crystal Impact web site. These are:
-- "Help/News From the Web",
-- "Help/Update",
-- "Help/Support".
-
In some cases, selected bonds were not deleted correctly when using commands
such as "Destroy bonds" from the context menu, when no atom was selected at the
same time.
-
When reading structural data from a file using XYZ format, i.e. containing no
cell parameters and atoms with cartesian coordinates, the structure was not
correctly transformed to a (pseudo-)crystal structure. The cell parameters were
too short in some cases, leading to close encounters of the atoms at the edges
or faces of the pseudo-unit cell, thus making simple molecular structures
polymeric. Now cell parameter a is 2.5 Angstroem longer than the x-dimension of
the molecule. Ditto for b (y) and c (z). When the XYZ file contained blank
lines after the last atom record, the last atom was duplicated the often a
blank line appeared.
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