Commit | Date | |
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[r27787]
by
bugman
Modified the rdc.corr_plot user function to skip deselected interatomic data containers. This would normally happen as no back-calculated data is normally present. However, if data has |
2015-03-09 15:53:08 | Tree |
[r27786]
by
bugman
Improvements for the rdc.weight and pcs.weight user functions. The spin_id argument can now be set to None to allow all spins or interatomic data containers to be |
2015-03-09 10:48:12 | Tree |
[r27785]
by
bugman
Added a new warning to the interatom.unit_vectors user function if data is missing. This is to aid in detecting problems earlier before unit vectors of None are encountered by other |
2015-03-05 14:17:51 | Tree |
[r27784]
by
bugman
Improved the RelaxError message from the RDC assembly function when unit vectors are None. |
2015-03-05 14:05:28 | Tree |
[r27783]
by
bugman
Added an extra check for the assembly of RDC data. This is in the pipe_control.rdc.return_rdc_data() function and the check is for any unit vectors set |
2015-03-05 13:49:00 | Tree |
[r27782]
by
bugman
Huge speed up for loading results and state files with Monte Carlo simulation alignment tensors. The reading of the alignment tensor component of XML formatted results and state files has been |
2015-03-05 10:02:08 | Tree |
[r27781]
by
bugman
Merged revisions 27776-27780 via svnmerge from ........ |
2015-03-04 14:33:57 | Tree |
2015-03-04 14:33:20 | Tree | |
[r27779]
by
bugman
Deleted the data_store.align_tensor.AlignTensorSimList.append() method. This replacement list method was proving fatal when copy.deepcopy() is called on the alignment |
2015-03-04 14:32:53 | Tree |
2015-03-04 14:28:53 | Tree |