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SVN archive Commit Log


Commit Date  
[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
of spins to be optimised simultaneously to one set of model parameters.

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
[r19468] by bugman

Fix for the spin ID string for the relax_disp.cluster user function.

This is for the exp_fit.py relaxation dispersion system test script.

2013-04-11 15:46:05 Tree
[r19467] by bugman

Added testing for spin clustering to the Relax_disp.test_exp_fit system test.

This includes calls to the new relax_disp.cluster user function and the checking of pipe variables
holding the clustering information.

2013-04-11 15:04:25 Tree
[r19466] by bugman

Removed the relax_disp.select_model user function call from the exp_fit dispersion system test script.

This is performed by the auto-analysis and not during setup.

2013-04-11 15:00:57 Tree
[r19465] by bugman

Fix for the relaxation dispersion auto-analysis.

The exponential fit model is now selected prior to optimisation.

2013-04-11 12:55:30 Tree
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