Menu

SVN archive Commit Log


Commit Date  
[r22665] by bugman

Created a parameter list object for the relaxation dispersion analysis.

Instead of using the parameter list object from the base class, the dispersion analysis now defines
its own.

2014-04-09 07:51:17 Tree
[r22664] by bugman

Updated the module docstring of specific_analyses.parameter_object to match its purpose.

2014-04-09 07:33:12 Tree
[r22663] by bugman

Import fix for the previous change (r22662).

2014-04-09 07:12:58 Tree
[r22662] by bugman

Renamed the specific_analyses.api_objects module to parameter_object to better reflect what it is.

This contains a single object for the parameter list object and therefore does not need to be
generalised for additional types of objects for the specific analysis API.

2014-04-09 06:58:25 Tree
[r22661] by bugman

Replaced the 'elif' statements with 'if' in the frame order update_model() function.

This is to avoid possible future bugs as the logic was not consistent.

2014-04-07 14:55:51 Tree
[r22660] by bugman

The frame order axis alpha angle is now defined in the grid search from -pi to pi.

2014-04-07 14:20:57 Tree
[r22659] by bugman

Bug fixes for the frame order axis alpha parameter in the unpack_opt_results() function.

This is in specific_analyses.frame_order.optimisation.unpack_opt_results(). The axis alpha angle
from optimisation was being stored as axis_phi angle instead. And the axis alpha angle was not
being handled by the Monte Carlo simulations.

2014-04-07 11:15:32 Tree
[r22658] by bugman

Added the axis alpha angle to the frame order return_units() API method.

2014-04-07 11:08:48 Tree
[r22657] by bugman

The frame_order.pivot user function can now be used to turn the pivot optimisation on and off.

If the pivot point is not given, this user function will now just set the fixed flag and nothing
else, allowing the optimisation status of a pre-set pivot to be changed.

2014-04-07 09:49:27 Tree
[r22656] by bugman

Updated the Python download links for version 2.7.6 at http://www.nmr-relax.com/download.html.

2014-04-05 09:56:56 Tree
Older >
Want the latest updates on software, tech news, and AI?
Get latest updates about software, tech news, and AI from SourceForge directly in your inbox once a month.