Commit | Date | |
---|---|---|
[r16860]
by
bugman
Created the generic_fns.interatomic module and added the return_container() method. |
2012-06-11 18:47:41 | Tree |
[r16859]
by
bugman
Created the InteratomContainer.id_match() method for checking the spin IDs in both directions for a match. |
2012-06-11 18:41:25 | Tree |
[r16858]
by
bugman
Converted a few of the N-state model system tests to use the new rdc.read definition. |
2012-06-11 18:40:39 | Tree |
2012-06-11 18:23:02 | Tree | |
2012-06-11 18:21:58 | Tree | |
[r16855]
by
bugman
Converted some of the test suite RDC data to use the double spin ID format for interatomic data. |
2012-06-11 18:20:01 | Tree |
[r16854]
by
bugman
Converted the only sample script which uses the rdc.read user function to the changed definition. |
2012-06-11 18:17:55 | Tree |
2012-06-11 18:16:21 | Tree | |
2012-06-11 18:15:20 | Tree | |
[r16851]
by
bugman
Added the 'absolute' keyword arg to the rdc.read user function definition. This will be used to mark RDCs as being unsigned. |
2012-06-11 18:13:41 | Tree |