Commit | Date | |
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[r24353]
by
bugman
A very small speed up to the CR72 dispersion models by minimising repetitive maths operations. The k_BA and k_AB rates are used to simplify the Psi calculation, dropping from 3 to 2 Using the disp_profile_all.py script, the speed ups for these two models are: 100 single spins analysis: Cluster of 100 spins analysis: |
2014-06-27 15:53:53 | Tree |
[r24352]
by
bugman
Shifted the rotor generation for the frame order geometric representation into its own function. This is the specific_analyses.frame_order.geometric.add_rotors() function which adds the rotors are |
2014-06-27 15:47:15 | Tree |
[r24351]
by
tlinnet
Replaced all self.num_frq with self.NM in target function. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-27 15:16:16 | Tree |
[r24350]
by
tlinnet
Replaced all self.num_exp with self.NE in target function. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-27 15:14:34 | Tree |
[r24349]
by
tlinnet
Replaced all self.spins with self.NS in target function. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-27 15:12:25 | Tree |
[r24348]
by
tlinnet
Made the validation check in profiling of marix_power check all values. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-27 15:09:45 | Tree |
[r24347]
by
tlinnet
Initial try to write up a 2x2 matrix by closed form. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-27 15:09:42 | Tree |
[r24346]
by
bugman
Created an auxiliary function for automatically generating the pivots of the frame order analysis. This is the new specific_analyses.frame_order.data.generate_pivot() function. It will generate the |
2014-06-27 14:31:45 | Tree |
[r24345]
by
bugman
The frame order geometric representation functions are no longer PDB specific. Instead the format argument is accepted. This will allow different formats to be supported in the |
2014-06-27 14:07:16 | Tree |
[r24344]
by
bugman
Shifted the frame order geometric representation functions into their own module. This is the new specific_analyses.frame_order.geometric module. |
2014-06-27 13:57:39 | Tree |