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Commit Date  
[r6889] by bugman

Created the average_rdc_tensor() function.

This is equivalent to the average_rdc_5D() function but takes the full tensor in numpy matrix form
rather than the elements of the 5D vector.

2008-07-09 14:19:13 Tree
[r6888] by bugman

Created the average_rdc_5D() function.

This calculates the average RDC for an ensemble set of XH bond vectors, using the 5D alignment
tensor notation.

2008-07-09 14:13:45 Tree
[r6887] by bugman

Created an empty module to dump RDC related computational functions into.

2008-07-09 13:49:39 Tree
[r6886] by bugman

Fix for the N_state_opt class set up for the tensor optimisation.

2008-07-09 13:42:16 Tree
[r6885] by bugman

Changed the N_state_opt functions to be model dependent.

The func_rdcs() method is now func_population(), and the func_tensors() method is now
func_2domain().

2008-07-09 13:40:54 Tree
[r6884] by bugman

Modified the N_state_opt class to handle both alignment tensor and RDC optimisation.

2008-07-09 13:35:23 Tree
[r6883] by bugman

The N_state_opt class now accepts the model, rdcs, and xh_vect arguments.

2008-07-09 13:18:36 Tree
[r6882] by bugman

Fix for minimise_setup_rdcs(). The spin id is now generated for the warning.

2008-07-09 13:11:47 Tree
[r6881] by bugman

Merged revisions 6879 via svnmerge from
svn+ssh://bugman@.../svn/relax/1.3

........
r6879 | bugman | 2008-07-09 15:04:27 +0200 (Wed, 09 Jul 2008) | 3 lines

Modified the spin_loop() to return the spin identification string if asked.
........

2008-07-09 13:08:08 Tree
[r6880] by bugman

Modified minimise_setup_rdcs() to throw a warning if RDCs exist but XH bond vectors are missing.

2008-07-09 13:05:46 Tree
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