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Commit Date  
[r18286] by bugman

Modified the metal_pos_opt.py N-state model system test script to catch yet another bug.

2013-01-23 21:14:19 Tree
[r18285] by bugman

Bug fixes for the _opt_uses_pcs() and _opt_uses_rdc() N-state model methods.

These now check that the populations are optimised as well.

2013-01-23 21:12:42 Tree
[r18284] by bugman

Improved the checks of the metal_pos_opt.py N-state model system test script.

2013-01-23 20:41:08 Tree
[r18283] by bugman

Modified the metal_pos_opt.py N-state model system test script to demonstrate some failures.

This change also caught the bug fixed in r18282.

2013-01-23 20:38:05 Tree
[r18282] by bugman

Bug fix for the N-state model Hessian d2func_standard() method.

An index variable name was incorrect causing the population model to fail with Newton optimisation.

2013-01-23 20:35:53 Tree
[r18281] by bugman

Modified the populations.py N-state model system test script to better test optimisation.

The probability of the 2nd state has been slightly shifted to make sure the original value can be
found.

2013-01-23 20:09:49 Tree
[r18280] by bugman

Improved the comments in the _disassemble_param_vector() N-state model method.

2013-01-23 20:08:23 Tree
[r18279] by bugman

Simplified the parameter unpacking in the func_standard() N-state model target function.

2013-01-23 17:51:33 Tree
[r18278] by bugman

Merged revisions 18275,18277 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r18275 | bugman | 2013-01-23 17:39:04 +0100 (Wed, 23 Jan 2013) | 3 lines

Removed a duplicated comment.
........
r18277 | bugman | 2013-01-23 18:14:33 +0100 (Wed, 23 Jan 2013) | 6 lines

BFGS optimisation is now being used for the N_state_model.test_mc_sim_failure system test.

This is to have better test coverage of the paramagnetic centre position optimisation gradient code
paths.
........

2013-01-23 17:32:17 Tree
[r18277] by bugman

BFGS optimisation is now being used for the N_state_model.test_mc_sim_failure system test.

This is to have better test coverage of the paramagnetic centre position optimisation gradient code
paths.

2013-01-23 17:14:33 Tree
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