CHANGELOG 2.4 KB

12345678910111213141516171819202122232425262728293031323334353637383940414243444546474849505152535455565758596061626364656667686970717273747576777879808182838485868788899091
  1. 2.2.21a3
  2. crystalball from NIST is relicensed under the GNU GPL version 3 license
  3. by the main developer who does not work at NIST anymore
  4. the program is renamed crystalballplus
  5. 2.2.21a2
  6. bug-fix: I forgot to update the README file with the public
  7. domain notice
  8. 2.2.21a
  9. new: changing license. NIST requires that this software be placed in
  10. the public domain. The license for ALL previous versions should be
  11. considered void.
  12. 2.2.20a
  13. enhance: zone axis and angle comparison functions have been merged
  14. and made much faster
  15. 2.2.18a
  16. bug fixed: potentially good values were excluded
  17. new: MillerPlane can be iterated
  18. new: functions 'difference', 'symmetryc_difference', 'union'
  19. that work with sets of lists
  20. 2.2.16a
  21. new configurable parameter in GUI: "report non-matching values"
  22. 2.2.15a
  23. faster zone axis grouping algorithm
  24. test module
  25. 2.2.12a
  26. better text executable (also, must use -GUI option to start GUI)
  27. improved grouping algorithm
  28. use of xrange instead of range throughout the code
  29. 2.2.11a
  30. report generation: files with no matches can be optionally listed
  31. report generation: files are listed in alphabetical order
  32. bug fixed: fixed bug for which the angle report was empty when
  33. multiple input files were used
  34. 2.2.10a
  35. GUI configuration: added check angle ('any' or 'all')
  36. GUI progressbar added
  37. 2.2.9a
  38. new GUI with configuration menu and better controls
  39. 0-rank array bug fixed
  40. 2.2.0a
  41. new matching algorithm, faster and more intelligent.
  42. KNOWN BUGS: somwhere during the process, a 0-rank array
  43. containing the MillerPlanes and the spot number is generated.
  44. 2.1.5a
  45. new utility function: anglecount.
  46. 2.1.4a
  47. bug-fix release.
  48. Starting from now, I am going to have alpha and beta releases.
  49. 2.1.3
  50. Angle report returns the zone axis family
  51. 2.1
  52. Added a simple WxPython GUI.
  53. 2.0.1
  54. New shell application 'crystalball.py'.
  55. Better report generation.
  56. 1.5
  57. Read crystal structure from text files (custom '.dfg' format).
  58. Read multiple 'input' and 'reference' files and compare them.
  59. Generate text reports.
  60. 0.5
  61. added OOP functionality: Diffractogram and DiffractogramFile classes
  62. 1st class is a general one; 2nd one allows the user to read the data
  63. from a text file.
  64. 0.1
  65. 1st release
  66. some basic functionalities to read files
  67. function to compute the angle of intersecting hkl planes
  68. function to match two sets of data (useful to match spacings
  69. measured from diffractograms to reference spacings from e.g.
  70. X-ray diffraction data).