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SVN archive Commit Log


Commit Date  
[r7683] by bugman

Fix for the theta and phi angle checks in the test_palmer_omp() system test.

2008-10-12 20:15:26 Tree
[r7682] by bugman

Fix for the setting of the theta and phi diff tensor angles from the Modelfree4 mfout file.

The angles need to be passed in in radian units.

2008-10-12 20:14:47 Tree
[r7681] by bugman

Reverted r7677. This was a false alarm!

The command used was:
svn merge -r7677:7676 .

2008-10-12 20:00:14 Tree
[r7680] by bugman

Fix for the backend of the dx.execute() user function.

The file arg was at some point renamed to file_prefix. The code now uses this name change.

2008-10-12 19:40:22 Tree
[r7679] by bugman

Bug fix for the dx.execute() user function - the correct args now are used.

2008-10-12 19:37:28 Tree
[r7678] by bugman

Fixes for the OpenDX code to handle mapping of the global parameter space (diff tensor, etc.).

2008-10-12 19:34:09 Tree
[r7677] by bugman

Important bug fix!!

The theta angle of the spheroidal diffusion tensor was being improperly wrapped between 0 and pi.
This was causing the glide reflection symmetry to be broken, hence the tensor was incorrect. The
result would be longer optimisation times for the spheroid tensors and more iterations than
necessary in the full_analysis.py script.

2008-10-12 17:59:03 Tree
[r7676] by bugman

The spheroidal diffusion tensor from the mfout file is now read and loaded into the relax data store.

2008-10-12 17:48:55 Tree
[r7675] by bugman

Fix for the spin names in the test_palmer_omp() system test checks.

2008-10-12 17:38:10 Tree
[r7674] by bugman

Updated the checks of the test_palmer_omp() system test to be specific to that test.

2008-10-12 17:35:56 Tree
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