Commit | Date | |
---|---|---|
[r27146]
by
bugman
Description improvements and GUI layout fixes for the structure.atomic_fluctuations user function. |
2014-12-19 14:10:42 | Tree |
[r27145]
by
bugman
Clean ups and speed ups of the structure.atomic_fluctuations user function. Duplicate calculations are now avoided, as the SD matrix is symmetric. |
2014-12-19 10:49:07 | Tree |
[r27144]
by
bugman
Implemented angular fluctuations for the structure.atomic_fluctuations user function. This adds the measure argument to the user function to allow either the default of 'distance' or the |
2014-12-19 10:23:46 | Tree |
[r27143]
by
bugman
Created the Structure.test_atomic_fluctuations_angle system test. This will be used to implement the mapping of inter-atomic vector angular fluctuations between |
2014-12-19 10:01:02 | Tree |
2014-12-19 09:49:22 | Tree | |
2014-12-19 09:49:00 | Tree | |
[r27140]
by
bugman
Updated the Structure.test_atomic_fluctuations_gnuplot system test. This is for the changes of the gnuplot correlation_matrix() plotting API function used by the |
2014-12-18 17:57:38 | Tree |
[r27139]
by
bugman
Forced the gnuplot correlation_matrix plot to be square. This is for the correlation_matrix() plotting API function used by the new |
2014-12-18 17:55:27 | Tree |
[r27138]
by
bugman
Fixes and improvements for the gnuplot correlation_matrix() plotting API function. This is for the structure.atomic_fluctuations user function. The "pm3d map" plot type is incorrect |
2014-12-18 17:07:19 | Tree |
[r27137]
by
bugman
Docstring fixes for the Structure.test_atomic_fluctuations_gnuplot system test. This was pointing to the structure.rmsd user function instead of structure.atomic_fluctuations. |
2014-12-18 15:46:11 | Tree |