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SVN archive Commit Log


Commit Date  
[r18131] by bugman

Fixes for the PCS values of the paramagnetic alignment test suite data.

The data generation script output and results file have been added to the repository as well.

2012-12-13 14:53:40 Tree
[r18130] by bugman

Bug fix for the N-state model with PCSs and the temperature or spectrometer frequency are not set.

Previously the missing value was set to 0 K or 1e-10 Hz, but this was causing optimisation to fail.
Now a RelaxError is produced if the value is missing and optimisation is attempted.

2012-12-13 14:52:23 Tree
[r18129] by bugman

Removed quotation marks from the molecule name in the PCS files of the synthetic alignment test data.

2012-12-12 16:02:13 Tree
[r18128] by bugman

Changed the molecule name to remove a space.

This is for the synthetic paramagnetic data in the test suite.

2012-12-12 15:59:42 Tree
[r18127] by bugman

NH bond length fix for the synthetic data committed at r18126.

2012-12-12 15:51:29 Tree
[r18126] by bugman

Created some synthetic paramagnetically aligned RDC and PCS data to the test suite.

This will be used in later system tests.

2012-12-12 14:54:59 Tree
[r18125] by bugman

Merged revisions 18121 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r18121 | bugman | 2012-12-12 09:50:49 +0100 (Wed, 12 Dec 2012) | 3 lines

Created the Align_tensor.test_fix() system test to check the operation of align_tensor.fix.
........

2012-12-12 10:14:10 Tree
[r18124] by bugman

Removed merge tracking for "svnmerge" for
svn+ssh://bugman@.../svn/relax/trunk

2012-12-12 09:04:07 Tree
[r18123] by bugman

Removed merge tracking for "svnmerge" for
svn+ssh://bugman@.../svn/relax/trunk

2012-12-12 09:03:17 Tree
[r18122] by bugman

Removed merge tracking for "svnmerge" for
svn+ssh://bugman@.../svn/relax/trunk

2012-12-12 08:55:11 Tree
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