Commit | Date | |
---|---|---|
[r17294]
by
bugman
Added some print outs for the frame order target function set up. This make the optimisation more informative, giving feedback to the user about the integration |
2012-07-23 10:03:51 | Tree |
[r17293]
by
bugman
Created the frame_order.quad_int user function. This is used to switch between the high precision Scipy quadratic numerical integration and the low |
2012-07-23 09:41:08 | Tree |
[r17292]
by
bugman
Created the frame_order.num_int_pts user function for changing the integration precision. This is for setting the number of integration points in the Sobol' quasi-random sequence used in the |
2012-07-23 09:29:40 | Tree |
2012-07-20 14:58:06 | Tree | |
[r17290]
by
bugman
Updated the 2nd free-rotor isotropic cone frame order optimisation script to match the test suite. |
2012-07-20 07:57:35 | Tree |
[r17289]
by
bugman
The CaM frame order test data optimisation scripts now match the system tests. The residues used in the C-terminal domain now match in all the tests and scripts. |
2012-07-19 12:39:58 | Tree |
[r17288]
by
bugman
Fixes for all of the frame order optimisation scripts in the test suite shared data directories. |
2012-07-19 09:57:18 | Tree |
[r17287]
by
bugman
Converted the frame order test data distribution generation script to the interatomic data design. |
2012-07-19 08:55:09 | Tree |
[r17286]
by
bugman
Converted a number of objects in the frame order target functions to numpy.float16 types. These were originally float64. These objects relate to the 3D structure which is not very accurate |
2012-07-19 08:03:54 | Tree |
[r17285]
by
bugman
The rigid frame order model no longer uses the numerical quasi-random integration path. |
2012-07-18 14:15:10 | Tree |