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* Modified profiling script to calculate correct values when setting up R<sub>2eff</sub> values. This is to test, that the return of χ<sup>2</sup> gets zero. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Removing looping over exp and offset indices in calc_chi2. They are always 0 anyway. This brings a little speed. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* In profiling script, moved up the calculation of values one level. This is to better see the output of the profiling iterations for [http://www.nmr-relax.com/api/3.3/lib.dispersion.cr72-module.html CR72.py]. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Fix for calculation of the Larmor frequency per spin in profiling script. The frq loop should also be up-shifted. It was now extracted as 0.0. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Re-inserted safety checks in lin[http://www.nmr-relax.com/api/3.3/lib.dispersion.cr72-module.html lib/dispersion/CR72.py ] file. This is re-inserted for the rank_1 cases. This makes the unit-tests pass again. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Important fix for extracting the correct shape to create new arrays. If using just one field, or having the same number of dispersion points, the shape would extend to the dispersion number. It would report [ei][si][mi][oi][di] when calling ndarray.shape. Shape always has to be reported as: [ei][si][mi][oi]. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Made it easier to switch between single and cluster reporting in profiling script. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Renamed Δω temporary structure to generic structure. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Restructured the calculation of R<sub>2A</sub><sup>0</sup> and R<sub>2B</sub><sup>0</sup> to the most efficient way. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Made the [http://www.nmr-relax.com/api/3.3/lib.dispersion.cr72-module.html lib/dispersion/CR72.py ] to a numpy multi dimensional numpy array calculation. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Changed the catching when Δω is zero, to use masked array. Implemented backwards compatibility with unit tests. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Bugfix for testing if k<sub>ex</sub> is zero. It was tested if k<sub>ex</sub> was equal 1.0. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Removed unused variables in [[NS CPMG 2-site 3D]], to clean up the code. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Added the NS matrices, rr1rho_3d_rankN, to collect the multi dimensional 3D exchange matrix, of rank [NE][NS][NM][NO][ND][6][6]. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Added a check in [http://www.nmr-relax.com/api/3.3/lib.dispersion.ns_r1rho_2site-module.html lib/dispersion/ns_r1hro_2site.py], to see if the newly created multidimensional ns matrix of rank NE][NS][NM][NO][ND][6][6], is equal to the previous [6][6] matrix. It is. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Added the relax_time to collection of rr1rho_3d_rankN matrix collection. This is to pre-multiply all elements with the time. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Added a check, that the pre- relax_time multiplied multidimensional array, equal the previous. It does, to the sum of 1.0e<sup>-13</sup>. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Renamed function to return data in unit test _lib/_dispersion/test_matrix_exponential.py. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Fix to [http://www.nmr-relax.com/api/3.3/lib.dispersion.matrix_exponential-module.html lib/dispersion/matrix_exponential.py], since the svn copy command was used on non-updated version of the file. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Added unit test for doing the matrix exponential for complex data. This test shows, that the dtype=complex64, should be removed from [http://www.nmr-relax.com/api/3.3/lib.dispersion.ns_mmq_2site-module.html lib/dispersion/ns_mmq_2site.py]. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Added data for unit test for the testing of the matrix_exponential_rankN. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Expanded the dispersion profiling master script to handle any two relax versions. To compare two relax versions, for example [[relax 3.2.2|3.2.2]] to [[relax 3.2.1|3.2.1]], either the path1 and path2 variables or two command line arguments can be supplied. The first path should be for the newest version. This will allow for comparing the speed differences between multiple relax versions in the future.
* 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 quickly be turned into a unit test, and includes small helper functions to calculate how to stride through the data. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* First try to implement function that will calculate the matrix exponential by striding through data. Interestingly, it does not work. These system tests will fail: test_hansen_cpmg_data_to_ns_cpmg_2site_3D, test_hansen_cpmg_data_to_ns_cpmg_2site_3D_full. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Added matrix_power to the init file in [http://www.nmr-relax.com/api/3.3/lib.dispersion-module.html lib/dispersion]. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Deleted the printout in dep_check. The printouts are only used for the essential packages before calling sys.exit(). [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Added the missing "self.num_exp" to target function. Testing on older system, this was failing the system test. It is a wonder how these lines in __init__ could be performed without this.
