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Commit Date  
[r18657] by bugman

Removed the prune parameter from the backend of the monte_carlo.error_analysis user function.

This was a dangerous parameter used to mimic the 'Trim' parameter from the Modelfree4 program. The
result is bad statistics. The probable reason for the 'Trim' parameter was the failure of
model-free models in the simulations, but this issue was solved using model elimination (see
http://www.nmr-relax.com/refs.html#dAuvergneGooley06).

2013-03-06 10:11:05 Tree
[r18656] by bugman

Updated all the chi2 tests in the frame order system tests for the higher precision Sobol' points.

2013-03-05 20:57:02 Tree
[r18655] by bugman

The Sobol' point data structure is now float32.

The float16 was used to help with data transfers for the multi-processor. However it has the
problem of producing different results on machines where numpy.float16 does not exist. The single
precision is sufficient for the uni-processor operation.

2013-03-05 20:32:54 Tree
[r18654] by bugman

The free rotor axis parameters are now part of the grid search in the frame order auto-analysis.

This is because the mapping {a, b, g} to {0, b', g'} does not mean that b=b' and g=g'!

2013-03-05 17:49:55 Tree
[r18653] by bugman

The frame order auto-analysis now copies the optimised average position translation for nesting.

The translation parameters from the rigid model, when present, are copied to all other models.

2013-03-05 17:47:35 Tree
[r18652] by bugman

The frame order auto-analysis now prints out the average domain position translation as well.

2013-03-05 17:43:44 Tree
[r18651] by bugman

Changed how the free rotor models are handled in the CaM frame order system tests.

As the {a, b, g} -> {0, b', g'} angle conversion is incredibly complex, instead of guessing b' and
g' for the tests (via optimisations), the original structure is rotated via {a, b, g} to the real
average position and b' and g' set to zero.

2013-03-05 17:29:39 Tree
[r18650] by bugman

Updated the CaM frame order system tests for the change in how the domain rotation is handled.

This is for the free rotor and isotropic cone free rotor models.

2013-03-05 17:19:10 Tree
[r18649] by bugman

The progress printouts in the CaM frame order data generation script now go to STDERR of the terminal.

2013-03-05 15:47:37 Tree
[r18648] by bugman

Updated the CaM frame order test suite data generation script.

The script was no longer compatible with the current design of relax.

2013-03-05 15:46:47 Tree
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