Commit | Date | |
---|---|---|
[r6758]
by
bugman
Fix for the OMP model-free optimisation system test. The MF_MODELS variable now exists. |
2008-07-05 14:20:57 | Tree |
[r6757]
by
bugman
Fix for grid_search_config_diff(). The diffusion tensor is located in 'cdp.diff_tensor'. |
2008-07-05 14:19:25 | Tree |
[r6756]
by
bugman
Fix for the grid_search_config_diff() method and the call to it. The current data pipe is aliased, and the verbosity flag is not sent into the method. |
2008-07-05 14:18:18 | Tree |
[r6755]
by
bugman
Fix for the assemble_scaling_matrix() method. The current data pipe is now aliased as required. |
2008-07-05 14:15:55 | Tree |
2008-07-05 14:14:21 | Tree | |
[r6753]
by
bugman
Added the modified OMP PDB file 1F35 with only H and N atoms present and created through Molmol. |
2008-07-05 14:13:11 | Tree |
2008-07-05 14:07:52 | Tree | |
2008-07-05 14:03:50 | Tree | |
[r6750]
by
bugman
Fix for the omp model-free optimisation system test. The fix() user function is properly called. |
2008-07-05 14:02:29 | Tree |
2008-07-05 14:01:52 | Tree |