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SVN archive Commit Log


Commit Date  
[r9227] by bugman

Bug fix for the setup of MC simulations of the diffusion tensor.

MC sims were not working when all parameters except for the diffusion tensor are fixed.

2009-07-14 13:12:22 Tree
[r9226] by bugman

Extended the OMP model-free system test to run MC sims for the diffusion tensor.

2009-07-14 12:11:19 Tree
[r9225] by bugman

Improvements for the reload_pdb() method.

Now the system path is searched for the PDB file. This allows the system tests to pass when not
running from the installation path.

2009-07-14 12:10:30 Tree
[r9224] by bugman

Bug fix for the generate_vector_residues() function.

Now the negative vector actually is negative! It was previously the same as the positive vector.

2009-07-14 11:31:53 Tree
[r9223] by bugman

Bug fix for the generate_vector_dist() function.

Now the diffusion tensor and cone geometric objects are correctly created!

2009-07-14 11:24:30 Tree
[r9222] by bugman

Fixes for Tyler's peptide system test.

The residue was 111 in the PDB but 211 in the results file, and the spin was unnamed.

2009-07-14 10:02:38 Tree
[r9221] by bugman

Fix for the return_units() method. The spin and spin_id args are now accepted.

2009-07-14 09:49:22 Tree
[r9220] by bugman

Fixes for all the N-state model optimisation unit tests.

2009-07-14 09:31:51 Tree
[r9219] by bugman

Removed a debugging print out.

2009-07-14 09:27:30 Tree
[r9218] by bugman

Fix for the func_2domain() method for the N-state model tensor reduction code.

2009-07-14 09:26:55 Tree
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