Commit | Date | |
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[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 |
2013-01-21 20:01:41 | Tree |
[r18243]
by
bugman
Merged revisions 18242 via svnmerge from ........ |
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 |
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 |
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 |
2013-01-18 21:34:40 | Tree |
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 |
2013-01-18 20:14:02 | Tree |