Commit | Date | |
---|---|---|
[r14990]
by
bugman
The generic_fns.structure.mass.centre_of_mass() function now accepts the model number arg. This allows specific models to be isolated. |
2011-11-09 10:45:33 | Tree |
[r14989]
by
bugman
The generic_fns.structure.mass.centre_of_mass() function now accepts the atom ID arg. This allows the centre of mass of subsets of the structure to be calculated. |
2011-11-09 10:38:56 | Tree |
2011-11-08 18:05:24 | Tree | |
2011-11-08 16:23:57 | Tree | |
[r14986]
by
bugman
Created the Frame_order.test_cam_iso_cone_free_rotor2 system test. This is the isotropic cone, free rotor frame order model with a tilted central axis. |
2011-11-08 11:06:30 | Tree |
2011-11-08 10:45:56 | Tree | |
[r14984]
by
bugman
Fix for the iso_cone_free_rotor.py system test script. The average position alpha Euler angle is not defined in this model. |
2011-11-08 10:45:36 | Tree |
[r14983]
by
bugman
Fixes for the free rotor frame order model system test scripts. The average position alpha Euler angle is not defined in these models! |
2011-11-08 10:23:48 | Tree |
2011-11-08 10:20:57 | Tree | |
[r14981]
by
bugman
Added Monte Carlo simulations to all the frame order model optimisation test scripts. |
2011-11-08 10:20:17 | Tree |