Commit | Date | |
---|---|---|
[r18624]
by
bugman
Converted the tensor rotation in the frame order target functions to be a forwards rotation. This allows the RDC to match the PCS, in that the average domain position is moved by a forwards |
2013-03-04 17:54:32 | Tree |
[r18623]
by
bugman
Fixes for the PCS with translations and rotations. The reverse rotations previously used have been converted to forwards rotations. This makes more |
2013-03-04 17:46:51 | Tree |
[r18622]
by
bugman
Elimination of all of the multi-processor code from the frame order target functions. At no point did the parallelisation overcome the problem of huge amounts of data transfer, making |
2013-03-04 16:51:03 | Tree |
2013-03-04 16:21:10 | Tree | |
[r18620]
by
bugman
Fix for the frame order func_rigid() target function. The Euler angles were being set to the translation values when translation is activated. |
2013-03-04 15:43:22 | Tree |
[r18619]
by
bugman
Fix for the calc_vectors() frame order target function method. As the rotation occurs first, the centroid must not be displaced. |
2013-03-04 15:33:41 | Tree |
[r18618]
by
bugman
The atomic positions for the PCS are now rotated about a centroid for the frame order analysis. This is for determining the average domain position. The centroid is currently set to the CoM. |
2013-03-04 15:30:23 | Tree |
2013-03-04 15:01:12 | Tree | |
2013-03-04 14:54:46 | Tree | |
[r18615]
by
bugman
The displacement script now prints out the inverted Euler angles (the solution to the problem). |
2013-03-04 14:52:58 | Tree |