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Commit Date  
[r16970] by bugman

Fixes for the dipolar_pair.define user function backend.

The return_interatom() function now returns a list!

2012-06-19 18:13:18 Tree
[r16969] by bugman

Updated the final_results_trunc_1.3_pre_py2.7.3_v2.bz2 results file for the interatomic data design.

2012-06-19 17:44:36 Tree
[r16968] by bugman

The import of old relax 1.2 results files is now operational under the interatomic data design.

2012-06-19 17:44:14 Tree
[r16967] by bugman

Basic docstring edit.

2012-06-19 17:43:18 Tree
[r16966] by bugman

Bug fix for the printing out of interatomic data containers.

The __repr__() method wasn't skipping all methods.

2012-06-19 16:54:29 Tree
[r16965] by bugman

Added a verbose flag to the generic_fns.dipole_pair.define() function.

2012-06-19 16:40:20 Tree
[r16964] by bugman

The Mf.test_dauvergne_protocol system test now passes with the new interatomic data container design!

This involves lots of changes to the model-free specific code, the dauvergne_protocol auto-analysis,
and modification of the checks in the system test for the additional proton spin containers.

2012-06-19 16:30:04 Tree
[r16963] by bugman

The CSA value is now only set for the 15N spins in the dauvergne_protocol.py system test script.

2012-06-19 14:38:57 Tree
[r16962] by bugman

Added a check to the model-free overfit_deselect() to see if a relaxation mechanism is present.

2012-06-19 14:25:34 Tree
[r16961] by bugman

Fix for the model-free duplicate_data() method for interatomic data.

This is used by the model_selection user function. The problem was that no proton spins where being
copied as previously there were no proton spins in a model-free analysis. This spins are now needed
to define the dipolar relaxation mechanism.

2012-06-19 14:21:59 Tree
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