Commit | Date | |
---|---|---|
2008-08-14 15:09:41 | Tree | |
[r7199]
by
bugman
The calculated paramagnetic centre is now being placed into the current data pipe. |
2008-08-14 15:09:00 | Tree |
[r7198]
by
bugman
Added a missing import and fixed an incorrect reference to the data pipe container. |
2008-08-14 14:57:58 | Tree |
[r7197]
by
bugman
Shifted the calculation of the paramagnetic centre from __minimise_setup_pcs() to centre(). |
2008-08-14 14:56:46 | Tree |
2008-08-14 14:52:06 | Tree | |
2008-08-14 14:47:29 | Tree | |
2008-08-14 12:49:45 | Tree | |
2008-08-14 12:39:24 | Tree | |
[r7192]
by
bugman
Bug fixes and expansion of the __linear_constraints() method. The bug fix is that the b array was not being scaled! This is essential when diagonal scaling is The added feature is that the pN weight of state N, which is not a parameter of the model, is now |
2008-08-14 09:31:10 | Tree |
[r7191]
by
bugman
Added the ability to reload alignment tensors from the XML results file into the relax data store. |
2008-08-13 09:55:56 | Tree |