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SVN archive Commit Log


Commit Date  
[r14875] by bugman

Created a system test with RDC data for loading RDCs from a file with spin ID strings at the start.

2011-10-17 16:31:38 Tree
[r14874] by bugman

Updated the RDC and PCS display and write user function backends for the new bc flag.

This allows access to the back-calculated rather than measured data.

2011-10-17 12:09:51 Tree
[r14873] by bugman

Added the bc flag to the RDC and PCS display and write user function front-ends.

This This will allow the back-calculated data to be displayed or written rather than the measured
values.

2011-10-17 11:59:57 Tree
[r14872] by bugman

Increased the efficiency of the relax data store spin system creation.

This becomes noticeable when large numbers of structures are read into relax.

2011-10-14 18:29:51 Tree
[r14871] by bugman

Bug fix for the profiling!

This coding and debugging functionality now works again. This has been broken since the merger of
the multi-processor branch.

2011-10-14 14:37:52 Tree
[r14870] by bugman

Bug fix allowing relax to be run in profiling mode.

This still does not work as the multi-processor branch has broken this coding and debugging
functionality.

2011-10-14 14:31:45 Tree
[r14869] by bugman

Fix for a problem introduced at r14810 - relax uses D and not 2D internally for the RDCs.

This is only a problem if the rdc.read 'data_type' argument is used. This is only a few days old so
will affect no one!

2011-10-14 08:21:50 Tree
[r14868] by bugman

Fix for the paramag.centre user function when a numpy array is used.

2011-10-13 16:31:08 Tree
[r14867] by bugman

Some last fixes, hopefully, for the N-state model code.

2011-10-12 17:32:04 Tree
[r14866] by bugman

Removed the Q factor calculations from metal_pos_opt.py as they should already be calculated.

2011-10-12 17:31:40 Tree
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