Commit | Date | |
---|---|---|
[r19478]
by
bugman
Changed the relax_disp.cpmg_frq user function id argument to spectrum_id. All the relax_disp user functions now operate with the spectrum IDs instead of experiment IDs. |
2013-04-15 15:53:40 | Tree |
2013-04-13 16:54:46 | Tree | |
2013-04-13 16:41:02 | Tree | |
[r19475]
by
bugman
Fix for the relax_disp.cluster user function. The 'free spins' category is now not deleted when empty. |
2013-04-13 16:26:17 | Tree |
[r19474]
by
bugman
Added a warning for the spectrum.read user function if a peak intensity of zero is encountered. This value can cause singular matrix failures in certain optimisation. |
2013-04-13 16:25:14 | Tree |
[r19473]
by
bugman
Expanded the write_results() method of the relaxation dispersion auto-analysis. More Grace graphs are now being produced, and the Rex file creation is now model dependent. |
2013-04-12 09:35:23 | Tree |
[r19472]
by
bugman
Speed up of the Relax_disp.test_exp_fit system test by cutting the grid size down to 3 increments. |
2013-04-11 17:03:04 | Tree |
[r19471]
by
bugman
Fixes for the spin clustering for relaxation dispersion. Both optimisation and Monte Carlo simulations were affected by these bugs. |
2013-04-11 17:01:06 | Tree |
[r19470]
by
bugman
Clustering is now enabled for relaxation dispersion. The model_loop() analysis specific API method now loops over the spin clusterings, allowing a cluster |
2013-04-11 16:03:00 | Tree |
[r19469]
by
bugman
Implemented the relax_disp.cluster user function. This is for clustering spins together for a dispersion analysis. |
2013-04-11 15:46:46 | Tree |