Commit | Date | |
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[r24367]
by
bugman
Fixes for the cone geometric representation in the internal structural object. The representation can now be created if the given MoleculeContainer object is empty. |
2014-07-01 09:11:25 | Tree |
[r24366]
by
bugman
Fix for the pivots created by the specific_analyses.frame_order.data.generate_pivot() function. This is for the double rotor model where the 1st mode of motion is about the 2nd pivot, and the 2nd |
2014-07-01 07:13:39 | Tree |
[r24365]
by
bugman
Created the very basic structure.com user function for calculating the centre of mass. This is to simply allow an easy interface to the pipe_control.structure.mass.pipe_centre_of_mass() |
2014-06-30 16:10:09 | Tree |
[r24364]
by
bugman
The new dispersion model profiling master script now includes links to the relax wiki. The models are no longer presented by name but rather by the relax wiki links for each model (see |
2014-06-30 10:20:31 | Tree |
[r24363]
by
tlinnet
Critical fix for the recalculation of tau cpmg, when plotting for numerical models. The interpolated dispersion points with tau_cpgm was calculated with frq, instead of cmpg_frq. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. |
2014-06-30 09:48:47 | Tree |
[r24362]
by
bugman
Created a master profiling script for comparing the speed between different dispersion models. This is similar to the disp_profile_all.py script except it only operates on a single relax version. The output of the script for the current disp_spin_speed branch code has also been added. |
2014-06-30 08:41:27 | Tree |
[r24361]
by
bugman
Added better epydoc sectioning to the lib.dispersion.ns_cpmg_2site_expanded module docstring. This is to better separate the original scripts used to document the code evolution. |
2014-06-30 08:16:57 | Tree |
[r24360]
by
bugman
A very small speed up to the MMQ CR72 dispersion model by minimising repetitive maths operations. This matches the recent change for the CR72 model (r24353), though the Psi calculation was already 100 single spins analysis: Cluster of 100 spins analysis: |
2014-06-27 17:01:21 | Tree |
[r24359]
by
bugman
Merged revisions 24354-24355 via svnmerge from ........ |
2014-06-27 16:59:29 | Tree |
[r24358]
by
bugman
Removed unused imports. This is from the splitting of the specific_analyses.frame_order.uf module into the new geometric |
2014-06-27 16:36:44 | Tree |