Commit | Date | |
---|---|---|
[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 |
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 |
2011-10-14 14:31:45 | Tree |
2011-10-14 08:21:50 | Tree | |
2011-10-13 16:31:08 | Tree | |
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 |
2011-10-12 17:16:18 | Tree | |
[r14864]
by
bugman
Fixes for the N-state model optimisation set up if PCS or RDC data is not loaded. |
2011-10-12 17:12:19 | Tree |
[r14863]
by
bugman
Revert the reversion of revision r14853 which was a reversion of r14849, as it was ok! The command used was: ..... |
2011-10-12 17:07:04 | Tree |