Commit | Date | |
---|---|---|
[r23864]
by
tlinnet
Changed target function for model CR72. To CR72 is now also the input of the parameters of R20A, R20B and dw. This is for speed-up. R20A and R20B is also subtracted, to see if the full model should be used. These small tricks are expected to give 5-10 pct. speeed-up. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-12 10:12:58 | Tree |
[r23863]
by
bugman
Converted the double rotor frame order model target function to use the new parameterisation. |
2014-06-12 10:12:19 | Tree |
[r23862]
by
bugman
Comment fixes for the eigenframe reconstruction in the frame order target functions. |
2014-06-12 09:23:22 | Tree |
2014-06-12 08:58:26 | Tree | |
[r23860]
by
bugman
Added the 2nd rotor axis torsion angle to the list of frame order parameters. This is for the double rotor model. |
2014-06-12 08:57:21 | Tree |
2014-06-12 08:53:55 | Tree | |
[r23858]
by
bugman
Reparameterisation of the double rotor frame order model. The two axes defined by spherical angles have been replaced by a full eigenframe and the second |
2014-06-12 08:47:31 | Tree |
[r23857]
by
bugman
Removed some debugging code from the frame order system tests. This was used to activate all tests. |
2014-06-12 08:44:38 | Tree |
[r23856]
by
bugman
Updated the free rotor and 2nd free rotor PDB representations using the represent_frame_order.py script. This is for the CaM frame order test data. |
2014-06-12 08:42:55 | Tree |
[r23855]
by
tlinnet
Removed use of "asarray", since the variables are already arrays. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-11 18:47:29 | Tree |