Commit | Date | |
---|---|---|
[r17093]
by
bugman
Bug fixes for the deselect.interatom and select.interatom user functions. The interatomic data container loops were skipping deselected containers, but these loops must be |
2012-06-28 12:27:49 | Tree |
[r17092]
by
bugman
Some changes to the Interatomic.test_manipulation system test to better test selection/deselection. |
2012-06-28 12:24:44 | Tree |
2012-06-28 12:22:13 | Tree | |
[r17090]
by
bugman
Created the new Interatomic system test class for testing out the interatomic data containers. |
2012-06-28 12:17:56 | Tree |
2012-06-28 10:15:51 | Tree | |
[r17088]
by
bugman
Another interatomic data design fix for the N_state_model.test_pcs_to_rdc system test. |
2012-06-28 10:01:03 | Tree |
[r17087]
by
bugman
Fix for the dipole_pair.unit_vectors user function - the vector averaging now occurs after the normalisation. |
2012-06-28 09:59:59 | Tree |
2012-06-28 09:33:02 | Tree | |
[r17085]
by
bugman
Interatomic data design fix for the N-state model analysis _minimise_bc_data() method. |
2012-06-28 09:32:14 | Tree |
[r17084]
by
bugman
Fix for the lactose N-state model system test script for the interatomic data design. The interatomic CH2 vectors are now deselected. |
2012-06-28 09:25:49 | Tree |