Commit | Date | |
---|---|---|
[r17065]
by
bugman
Fix for the interatomic data container is_empty() method for the new variables and methods. |
2012-06-26 15:47:56 | Tree |
[r17064]
by
bugman
Interatomic data containers can now be selected and deselected. The user functions select.interatom and deselect.interatom have been created mimicking the |
2012-06-26 15:45:56 | Tree |
[r17063]
by
bugman
Modified the interatomic_loop() function so that spin IDs can be used to restrict the looping. |
2012-06-26 15:32:09 | Tree |
[r17062]
by
bugman
Fix for the N-state model _minimise_bc_data() method for the interatomic data design. |
2012-06-26 12:29:12 | Tree |
[r17061]
by
bugman
A number of fixes for the N-state model target functions for the interatomic data design. |
2012-06-26 12:28:09 | Tree |
[r17060]
by
bugman
Converted all of the rdc related functions to the interatomic data container design. |
2012-06-26 12:27:37 | Tree |
[r17059]
by
bugman
Updated all N-state model analysis references to RDCs and NOEs to use the interatomic data containers. This is mainly for the methods reliant on the base_data_loop() iterator. |
2012-06-26 09:09:31 | Tree |
[r17058]
by
bugman
Fixes for the N-state model optimisation target function code for the interatomic data design. |
2012-06-25 17:48:48 | Tree |
[r17057]
by
bugman
Fixes to the N-state model minimisation setup and execution code for the interatomic data design. |
2012-06-25 17:48:17 | Tree |
[r17056]
by
bugman
A few small changes to the spin IDs used and the print out from the rdc.read user function. |
2012-06-25 14:47:53 | Tree |