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Commit Date  
[r18245] by bugman

Fixes for the support of the paramagnetic centre optimisation during Monte Carlo simulations.

2013-01-21 20:17:37 Tree
[r18244] by bugman

Activated the Monte Carlo simulations in the metal_pos_opt.py system test script.

This is to test the combination of Monte Carlo simulations and paramagnetic centre position
optimisation.

2013-01-21 20:01:41 Tree
[r18243] by bugman

Merged revisions 18242 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r18242 | bugman | 2013-01-21 20:01:52 +0100 (Mon, 21 Jan 2013) | 6 lines

Added Monte Carlo simulation support for the paramagnetic centre for PCSs in the N-state model.

As the paramagnetic centre position can be optimised, including in Monte Carlo simulations, then it
makes sense to add this support.
........

2013-01-21 19:16:20 Tree
[r18242] by bugman

Added Monte Carlo simulation support for the paramagnetic centre for PCSs in the N-state model.

As the paramagnetic centre position can be optimised, including in Monte Carlo simulations, then it
makes sense to add this support.

2013-01-21 19:01:52 Tree
[r18241] by bugman

The N_state_model.test_frame_order_align_fit system test is now skipped if the scipy module is not installed.

2013-01-18 21:52:45 Tree
[r18240] by bugman

Merged revisions 18236 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r18236 | bugman | 2013-01-18 21:14:02 +0100 (Fri, 18 Jan 2013) | 3 lines

Python 3 fix for the Pcs.test_grace_plot system test.
........

2013-01-18 21:35:50 Tree
[r18239] by bugman

Added a backwards compatibility hook for converting alignment tensors.

The main trunk alignment tensors as associated with alignment IDs by having the same name, but in
this branch there can be multiple tensors per alignment, hence each tensor has an associated ID in
addition to the name. The hook duplicates the tensor name into the alignment ID string.

2013-01-18 21:34:40 Tree
[r18238] by bugman

Reverted r18237 as the fix was no correct!

The command used was:
svn merge -r18237:18236 .

2013-01-18 21:02:54 Tree
[r18237] by bugman

Bug fixes for the N-state model for the changes of the frame order testing branch.

2013-01-18 20:53:13 Tree
[r18236] by bugman

Python 3 fix for the Pcs.test_grace_plot system test.

2013-01-18 20:14:02 Tree
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