Commit | Date | |
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[r18306]
by
bugman
Fixes for the relaxation curve-fitting specific return_data() method. Strangely, it appears as if this method is never used. |
2013-01-24 13:49:52 | Tree |
[r18305]
by
bugman
Added some consistency to the specific analysis API base class. The return_data() method argument has been changed from 'spin' to 'data_id', as the data from the |
2013-01-24 13:45:07 | Tree |
2013-01-24 13:43:43 | Tree | |
[r18303]
by
bugman
The N-state model _check_rdcs() method now skips deselected interatomic data containers. A FIXME comment has also been added to highlight a possible future problem. |
2013-01-24 13:21:42 | Tree |
[r18302]
by
bugman
Added new checks in the N_state_model.test_metal_pos_opt system test. These are for structures which should not be in the deselected spins and interatomic containers |
2013-01-24 13:16:51 | Tree |
[r18301]
by
bugman
Big data store clean up fix for the N-state model. The N-state model specific base_data_loop() method now skips deselected interatomic data containers |
2013-01-24 12:00:31 | Tree |
[r18300]
by
bugman
Merged revisions 18297-18299 via svnmerge from ........ |
2013-01-24 11:51:23 | Tree |
[r18299]
by
bugman
Added extensive data checks to the N_state_model.test_metal_pos_opt system test script. |
2013-01-24 11:42:41 | Tree |
[r18298]
by
bugman
Fix for the metal_pos_opt.py N-state model system test script. The moving interatomic data containers are now also deselected. |
2013-01-24 11:42:17 | Tree |
[r18297]
by
bugman
The N_state_model.test_align_fit system test now checks the simulation PCS values. |
2013-01-24 11:04:27 | Tree |