Commit | Date | |
---|---|---|
[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 |
[r17055]
by
bugman
Modified InteratomContainer.id_match() to handle a single spin ID and to match to all unique IDs. This uses the spin container _spin_ids list private metadata structure. |
2012-06-25 14:24:21 | Tree |
2012-06-25 11:39:33 | Tree | |
[r17053]
by
bugman
Fixes for the J(w) mapping and consistency testing analyses for the return_interatom() changes. |
2012-06-25 11:32:12 | Tree |
2012-06-25 10:53:11 | Tree | |
[r17051]
by
bugman
Fix for the XML loading backwards compatibility hook for the return_interatom() changes. |
2012-06-25 10:50:05 | Tree |
[r17050]
by
bugman
Fixes for the relax 1.2 model-free results reading code for the return_interatom() changes. |
2012-06-25 10:43:52 | Tree |
[r17049]
by
bugman
Fix for the dipole_pair.define user function backend for the return_interatom() changes. |
2012-06-25 10:40:21 | Tree |
[r17048]
by
bugman
Split the return_interatom() function into two. The new return_interatom() function is used for returning single interatomic data containers for |
2012-06-25 10:32:32 | Tree |