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- 2.2.21a3
- crystalball from NIST is relicensed under the GNU GPL version 3 license
- by the main developer who does not work at NIST anymore
- the program is renamed crystalballplus
- 2.2.21a2
- bug-fix: I forgot to update the README file with the public
- domain notice
- 2.2.21a
- new: changing license. NIST requires that this software be placed in
- the public domain. The license for ALL previous versions should be
- considered void.
-
- 2.2.20a
- enhance: zone axis and angle comparison functions have been merged
- and made much faster
- 2.2.18a
- bug fixed: potentially good values were excluded
- new: MillerPlane can be iterated
- new: functions 'difference', 'symmetryc_difference', 'union'
- that work with sets of lists
- 2.2.16a
- new configurable parameter in GUI: "report non-matching values"
-
- 2.2.15a
- faster zone axis grouping algorithm
- test module
- 2.2.12a
- better text executable (also, must use -GUI option to start GUI)
- improved grouping algorithm
- use of xrange instead of range throughout the code
- 2.2.11a
- report generation: files with no matches can be optionally listed
- report generation: files are listed in alphabetical order
- bug fixed: fixed bug for which the angle report was empty when
- multiple input files were used
-
- 2.2.10a
- GUI configuration: added check angle ('any' or 'all')
- GUI progressbar added
- 2.2.9a
- new GUI with configuration menu and better controls
- 0-rank array bug fixed
- 2.2.0a
- new matching algorithm, faster and more intelligent.
- KNOWN BUGS: somwhere during the process, a 0-rank array
- containing the MillerPlanes and the spot number is generated.
-
- 2.1.5a
- new utility function: anglecount.
-
- 2.1.4a
- bug-fix release.
- Starting from now, I am going to have alpha and beta releases.
-
- 2.1.3
- Angle report returns the zone axis family
- 2.1
- Added a simple WxPython GUI.
- 2.0.1
- New shell application 'crystalball.py'.
- Better report generation.
- 1.5
- Read crystal structure from text files (custom '.dfg' format).
- Read multiple 'input' and 'reference' files and compare them.
- Generate text reports.
-
- 0.5
- added OOP functionality: Diffractogram and DiffractogramFile classes
- 1st class is a general one; 2nd one allows the user to read the data
- from a text file.
-
- 0.1
- 1st release
- some basic functionalities to read files
- function to compute the angle of intersecting hkl planes
- function to match two sets of data (useful to match spacings
- measured from diffractograms to reference spacings from e.g.
- X-ray diffraction data).
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