Commit | Date | |
---|---|---|
[r17287]
by
bugman
Converted the frame order test data distribution generation script to the interatomic data design. |
2012-07-19 08:55:09 | Tree |
[r17286]
by
bugman
Converted a number of objects in the frame order target functions to numpy.float16 types. These were originally float64. These objects relate to the 3D structure which is not very accurate |
2012-07-19 08:03:54 | Tree |
[r17285]
by
bugman
The rigid frame order model no longer uses the numerical quasi-random integration path. |
2012-07-18 14:15:10 | Tree |
[r17284]
by
bugman
The free-rotor pseudo-ellipse frame order target function is now using the multi-processor framework. This is for the func_pseudo_ellipse_free_rotor_qrint() target function. |
2012-07-18 10:42:25 | Tree |
[r17283]
by
bugman
Converted all of the CaM frame order test data scripts to the interatomic data design. |
2012-07-18 10:09:46 | Tree |
2012-07-18 09:50:42 | Tree | |
[r17281]
by
bugman
Converted the frame order target function code to be more like the N-state model. This matches a number of changes which occurred in the trunk (via branches). The alignment index |
2012-07-18 09:43:02 | Tree |
[r17280]
by
bugman
The frame order system tests are now showing the number of integration points as a debug message. |
2012-07-18 09:26:27 | Tree |
[r17279]
by
bugman
Fix for the frame order _minimise_setup_rdcs() method for handling multiple unit vectors. |
2012-07-18 09:03:46 | Tree |
[r17278]
by
bugman
Fix for the Frame order _minimise_setup_pcs() method for how atomic positions are now stored. This will always be a rank-2 array, even with a single position, and the method now handles this. |
2012-07-18 08:50:09 | Tree |