Commit | Date | |
---|---|---|
[r17069]
by
bugman
Fixes for the interatomic_loop() calls in the interatom selection and deselection user functions. |
2012-06-27 08:04:05 | Tree |
[r17068]
by
bugman
Fixes for the interatomic_loop() iterator when using selection strings. The previous approach did not work! |
2012-06-27 08:02:33 | Tree |
[r17067]
by
bugman
Converted the population model RDC test data to the interatomic data design. The RDC lists now consist of the two spin ID columns and a data column. |
2012-06-27 07:59:41 | Tree |
2012-06-27 07:15:56 | Tree | |
[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 |