Commit | Date | |
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[r26432]
by
bugman
Added the isotropic cone model to the frame order matrix element simulation script. The generated in-frame and out-of-frame Grace graphs for the torsion angle cone_sigma_max, |
2014-11-07 08:00:59 | Tree |
[r26431]
by
bugman
Created the Grace graphs for the torsionless pseudo-ellipse model 1st degree frame order matrix. These are the values calculated directly from the lib.frame_order modules. The graphs were |
2014-11-06 19:01:37 | Tree |
[r26430]
by
bugman
Implemented the compile_1st_matrix_pseudo_ellipse_torsionless() function. This is for the lib.frame_order.pseudo_ellipse_torsionless module. The function will calculate the |
2014-11-06 19:00:00 | Tree |
[r26429]
by
bugman
Simplifications for all of the torsionless pseudo-ellipse frame order matrix equations. |
2014-11-06 18:49:04 | Tree |
[r26428]
by
bugman
Updated all the calculated 1st degree frame order matrix graphs for the pseudo-ellipse. The changes are due to the fixes in the lib.frame_order.pseudo_ellipse module. |
2014-11-06 14:49:09 | Tree |
[r26427]
by
bugman
Simplifications and fixes for the 1st degree frame order matrix calculation for the pseudo-ellipse. The compile_1st_matrix_pseudo_ellipse() function of the lib.frame_order.pseudo_ellipse module has |
2014-11-06 14:48:03 | Tree |
[r26426]
by
bugman
Added the free rotor model to the frame order matrix element simulation script. The generated in-frame and out-of-frame Grace graphs containing the matrix values for 1,000,000 |
2014-11-06 13:07:28 | Tree |
[r26425]
by
bugman
Added the rotor model to the frame order matrix element simulation script. The generated in-frame and out-of-frame Grace graphs containing the matrix values for 1,000,000 |
2014-11-06 12:47:49 | Tree |
[r26424]
by
bugman
The frame order matrix element simulation script now uses the Kronecker outer product. This allows the frame order matrix to be in the same notation as that used internally in relax. It |
2014-11-03 07:31:48 | Tree |
[r26423]
by
bugman
Simulation of the pseudo-ellipse frame order matrix elements. This is for a simulation of 1,000,000 states for each angle increment, and includes in-frame and |
2014-11-03 07:18:07 | Tree |