Commit | Date | |
---|---|---|
[r26400]
by
bugman
Zero values can now be handled in the pseudo-ellipse 1st degree frame order matrix function. This is in lib.frame_order.pseudo_ellipse.compile_1st_matrix_pseudo_ellipse(). |
2014-11-01 16:00:00 | Tree |
[r26399]
by
bugman
Updated the frame_order_solution.py script for directly calculating the frame order matrix elements. The MODEL variable has been added in preparation for supporting all model types, and this is now |
2014-11-01 13:44:03 | Tree |
[r26398]
by
bugman
Improvements for the Grace files produced by the frame_order_simulate.py script. The model name is now set as a variable and is used for the subheading. |
2014-11-01 13:42:40 | Tree |
[r26397]
by
bugman
Updated the frame_order_simulate.py script for simulating frame order matrix elements. The MODEL variable has been added in preparation for supporting all model types, and this is now |
2014-11-01 13:09:17 | Tree |
[r26396]
by
bugman
Added some old relax scripts for both simulating and predicting the frame order matrix elements. These were used for the initial implementation of the pseudo-ellipse frame order model back in July |
2014-11-01 11:36:07 | Tree |
2014-10-28 18:47:10 | Tree | |
[r26394]
by
bugman
Replaced the table in the frame_order.permute_axes user function. The original table was an old and incorrect version. This has been replaced by the correct |
2014-10-28 13:23:43 | Tree |
[r26393]
by
bugman
Updated the description of the frame_order.permute_axes user function. This now includes the isotopic cone. |
2014-10-28 10:24:45 | Tree |
[r26392]
by
bugman
The pivot point can now be excluded from the grid search in the frame order auto-analysis. If the initial pivot point is known to be reasonable, then it may be possible to skip it in the grid |
2014-10-23 14:32:15 | Tree |
[r26391]
by
bugman
The minimise.execute user function skip_preset flag is now False in the frame order auto-analysis. This is for the main model optimisation. Without this flag set, the grid search for the pivot point |
2014-10-23 14:19:39 | Tree |