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SVN archive Commit Log


Commit Date  
[r13900] by han87

Changing the code in the generic_fns/structure/main.py

For printing out of modified spins, a test to check whether the spin_name exists or not is added.

2011-07-26 16:47:49 Tree
[r13899] by bugman

Fix to the dauvergne_protocol GUI analysis tab data checks, matching that of r13898.

2011-07-26 16:05:02 Tree
[r13898] by bugman

Fix for the spin data check in the dauvergne_protocol auto-analysis - deselected spins are skipped.

2011-07-26 16:04:30 Tree
[r13897] by bugman

Added data checks for the dauvergne_protocol GUI auto-analysis tab.

This allows for a dialog telling the user what is missing.

2011-07-26 16:02:53 Tree
[r13896] by bugman

Fix for the relaxation data check in the dauvergne_protocol auto-analysis.

2011-07-26 16:01:58 Tree
[r13895] by bugman

Added the status/user-busy oxygen icon.

2011-07-26 16:01:21 Tree
[r13894] by han87

Changing the code in the test_read_xyz_internal2

Test to load a spin of the already loaded model of the molecule.

2011-07-26 15:38:38 Tree
[r13893] by bugman

Removed a debugging print statement.

2011-07-26 15:37:41 Tree
[r13892] by bugman

Redesigned the dauvergne_protocol mode selection.

A special GUI element has been added to the analysis tab with a button that launches a new window
for mode selection. Therefore clicking on 'Execute relax' instantly starts the analysis.

2011-07-26 15:36:59 Tree
[r13891] by han87

Debugging in the generic_fns/structure/main.py

Debugging in the function load_spin in order to load a spin for xyz file properly.

2011-07-26 15:36:01 Tree
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