relax SVN archive

Molecular dynamics by NMR data analysis

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SVN archive Commit Log

Commit	Date
[r8798] by bugman Expansion of the alignment tensor fitting system tests to create 3 different tests. The optimised values are now checked as well.	2009-02-13 17:06:25	Tree
[r8797] by bugman Fixes for the system test script.	2009-02-13 17:05:33	Tree
[r8796] by bugman Modified the system test script to allow different combinations of RDC and/or PCS loading.	2009-02-12 19:08:38	Tree
[r8795] by bugman Bug fix for the PCS alignment tensor fitting. The __minimise_setup_pcs() method was failing to determine the paramagnetic, nuclear spin distance correctly.	2009-02-12 18:59:24	Tree
[r8794] by bugman Bug fix for the N-state model optimisation. In __minimise_setup_rdcs(), the XH bond vector structure was being incorrectly set up if the spin container xh_vect object is a single 3D vector.	2009-02-12 13:39:23	Tree
[r8793] by bugman Bug fixes for the N-state model when N = 1.	2009-02-12 10:17:34	Tree
[r8792] by bugman The alignment tensor elements are now explicitly set.	2009-02-12 09:51:37	Tree
[r8791] by bugman A few changes to the system test.	2009-02-12 09:19:48	Tree
[r8790] by bugman Bug fix for the __disassemble_param_vector() method. The probabilities do not exist in the 'fixed' model!	2009-02-12 09:13:40	Tree
[r8789] by bugman Set the grid search lower bound for alignment tensor elements from 0 to -1e-3.	2009-02-12 09:06:45	Tree

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