Commit | Date | |
---|---|---|
[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 |
[r17083]
by
bugman
Fixes for the N_state_model.test_pcs_to_rdc system test for the interatomic data design. |
2012-06-28 09:13:22 | Tree |
[r17082]
by
bugman
Fix for the rdc.write user function backend. The data is now properly formatted for the relax_io.write_data() function. |
2012-06-28 08:56:42 | Tree |
[r17081]
by
bugman
Shifted the InteratomContainer.id_match() method into the generic_fns.interatomic module. This is needed to allow the correct data pipes to be matched. |
2012-06-28 08:39:43 | Tree |