Commit | Date | |
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[r24325]
by
tlinnet
First try to implement function that will calculate the matrix exponential by striding through data. Interestingly, it does not work. Theses systemtests will fail. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-25 18:41:47 | Tree |
[r24324]
by
tlinnet
Initiated lengthy profiling script, that shows that doing square numpy matrix_power on strided data, can speed up the calculation by factor 1.5. The profiling script can quicly be turned into a unit test, and includes small helper functions to calculate how to stride through the data. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-25 17:31:45 | Tree |
[r24323]
by
tlinnet
Implemented a dependency check for numpy einsum, so relax can still start. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-25 17:31:40 | Tree |
[r24322]
by
bugman
Added the full optimisation results for the 2nd free rotor isotropic cone frame order model. This is for the CaM test data using the new frame_order.py optimisation script. |
2014-06-25 15:21:13 | Tree |
[r24321]
by
bugman
Added the full optimisation results for the torsionless pseudo-ellipse frame order model. This is for the CaM test data using the new frame_order.py optimisation script. |
2014-06-25 15:19:02 | Tree |
[r24320]
by
bugman
Removed the now redundant disp_profile_all_3.2.2.table.txt dispersion model profiling table. As the dispersion model profiling master script now covers all dispersion models, the output from |
2014-06-25 15:08:54 | Tree |
[r24319]
by
bugman
Updated the relaxation dispersion model profiling log file for relax version 3.2.2 vs. 3.2.1. This adds the MMQ and 3-site models to the log file. The new information shows that there was a 4.2 |
2014-06-25 15:04:00 | Tree |
[r24318]
by
bugman
Created 3 frame order system tests for the new large angle double rotor CaM synthetic data. These are the Frame_order.test_cam_double_rotor_large_angle, |
2014-06-25 14:53:16 | Tree |
[r24317]
by
bugman
Fix for the CaM double rotor frame order system tests. The torsion angle cone_sigma_max is a half angle, therefore the full angles from the data generation |
2014-06-25 14:48:54 | Tree |
[r24316]
by
bugman
Fix for the frame order target functions for when no PCS data is present. In this case, the self.pivot structure was being created as an empty array rather than a rank-2 |
2014-06-25 14:41:20 | Tree |