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Commit Date  
[r21737] by bugman

Basic fix for the Relax_disp.test_r2eff_read_spin system test - the CPMG frequencies are now set.

This was identified in the post http://thread.gmane.org/gmane.science.nmr.relax.devel/4773/focus=4774.

2013-12-03 08:03:31 Tree
[r21736] by bugman

Loosened a check in the Relax_disp.test_hansen_cpmg_data_missing_auto_analysis system test.

This is to allow this test to pass on certain Mac OS X machines. It was reported by Troels in the
post http://thread.gmane.org/gmane.science.nmr.relax.devel/4773/focus=4774.

2013-12-03 07:56:57 Tree
[r21735] by bugman

Simple fix for the Relax_disp.test_korzhnev_2005_*_data system tests.

The CPMG frequencies are now being set up in the setup_korzhnev_2005_data() method.

2013-12-03 07:52:16 Tree
[r21734] by bugman

Improved the checking of the Structure.test_read_gaussian_strychnine system test.

This now checks all the atomic information loaded.

2013-12-02 09:48:35 Tree
[r21733] by bugman

Implemented the structure.read_gaussian user function.

This will read the final structural data out of a Gaussian log file.

2013-12-02 09:47:35 Tree
[r21732] by bugman

Simple fix for the new lib.periodic_table module.

2013-12-02 09:21:40 Tree
[r21731] by bugman

Created the lib.periodic_table module for storing information about the periodic table.

This is via the periodic_table object which will have different methods for obtaining different
information about an element.

2013-12-02 09:13:58 Tree
[r21730] by bugman

Created the Structure.test_read_gaussian_strychnine system test.

This will be used for implementing and testing the structure.read_gaussian user function.

2013-12-02 07:37:02 Tree
[r21729] by bugman

Added another Gaussian log file of strchnine, this time with DFT structure optimisation.

The file is bzip2 compressed to save space.

2013-12-02 07:33:37 Tree
[r21728] by bugman

Added the 'NS MMQ 3-site' models to the dispersion variables.

This is for the 'NS MMQ 3-site' and 'NS MMQ 3-site (linear)' CPMG dispersion models.

This follows the tutorial for adding relaxation dispersion models at:
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#Adding_the_model_to_the_list

2013-12-01 20:56:32 Tree
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