Commit | Date | |
---|---|---|
[r17277]
by
bugman
Modified the base script for the CaM frame order system tests to not average the atomic positions. This is needed for the multiple vectors used in the RDC calculation. |
2012-07-18 08:41:45 | Tree |
[r17276]
by
bugman
Updates to the frame order module for the interatomic data design. This includes import cleanups. |
2012-07-17 15:02:23 | Tree |
2012-07-17 14:53:24 | Tree | |
2012-07-17 14:50:29 | Tree | |
2012-07-17 14:49:30 | Tree | |
2012-07-17 14:46:28 | Tree | |
[r17271]
by
bugman
Fixes for the branch specific _store_bc_data() frame order method for the interatomic data design. |
2012-07-17 13:50:35 | Tree |
[r17270]
by
bugman
The CaM frame order system test base script now loads the molecule name from the PCS files. This is needed to match the spin IDs of the loaded spins. |
2012-07-17 09:45:49 | Tree |
[r17269]
by
bugman
Changed the molecule name to 'C-dom' in all of the CaM frame order PCS test data. |
2012-07-17 09:44:43 | Tree |
[r17268]
by
bugman
Mass conversion of all of the CaM frame order RDC data used in the test suite. This converts the files to the new interatomic data container design so that the file consists of |
2012-07-17 09:14:25 | Tree |