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Relax 3.3.0

465 bytes added, 14:55, 22 September 2014
More API documentation links.
* Added the "dtype" argument to function matrix_exponential_rankN. This is to force the conversion of dtype, if they are of other type. This can be conversion from complex128 to complex64. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Fix the bug: "M2_i = M1_mat", which was causing the problems getting system tests to pass. Removed the specifications of which dtype, the initial matrices are created. They can be converted later, with the specification of dtype to matrix_exponential_rankN(). All system tests now pass. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Moved the Bloch-McConnell matrix for 2-site exchange into [http://www.nmr-relax.com/api/3.3/lib.dispersion.ns_matrices-module.html lib/dispersion/ns_matrices.py]. This is for consistency with the other code. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].* Moved the matrices for Bloch-McConnell from lib ns_mmq_2site, since they are now defined in [http://www.nmr-relax.com/api/3.3/lib.dispersion.ns_matrices-module.html ns_matrices.py]. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].* Moved the Bloch-McConnell matrix for 3-site exchange, into the [http://www.nmr-relax.com/api/3.3/lib.dispersion.ns_matrices-module.html lib/dispersion/ns_matrices.py]. This is to standardize the code. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Removed m1 and m2 to be sent to lib function of [[NS MMQ 2-site]], since they are now populated inside the lib function. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Implemented the Bloch-McConnell matrix for 3-site exchange, for multidimensional data. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Precision lowering of system test, test_korzhnev_2005_15n_sq_data and test_korzhnev_2005_1h_sq_data. The system tests does not fail on Linux 64-bit system, but only on Mac 32-bit system. This is due to floating error deviations. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Added log files for super profiling against tags [[relax 3.2.1|3.2.1]] and [[relax 3.2.2|3.2.2]]. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Copied lib.linear_algebra.matrix_exponential to [http://www.nmr-relax.com/api/3.3/lib.dispersion.matrix_exponential-module.html lib.dispersion.matrix_exponential]. The matrix exponential of higher dimensional data is only used in the dispersion part of relax.* Added to __init__, the new [http://www.nmr-relax.com/api/3.3/lib.dispersion.matrix_exponential-module.html lib.dispersion.matrix_exponential module]. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Added to unit_tests/_lib/_dispersion/__init__.py, the new unit test file: test_matrix_exponential.py. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Added numpy array save files. They are the numpy array structures, which are send in from system test: Relax_disp.test_hansen_cpmg_data_to_ns_cpmg_2site_3D. These numpy array structures, are used in unit tests. [https://gna.org/task/?7807 Task #7807: Speed-up of dispersion models for clustered analysis].
* Added unit test unit_tests/_lib/_dispersion/test_matrix_exponential.py to test the matrix exponential from higher dimensional data. lib.dispersion.matrix_exponential.matrix_exponential_rankN will match against lib.linear_algebra.matrix_exponential. Data which is used for comparison, comes from system test: Relax_disp.test_hansen_cpmg_data_to_ns_cpmg_2site_3D. [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 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].
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