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Commit Date  
[r17260] by bugman

Converted the frame order system test base optimisation script to the interatomic data design.

2012-07-16 17:59:04 Tree
[r17259] by bugman

Converted the domain user function to the new relax 2.x auto-generation design.

2012-07-16 17:56:50 Tree
[r17258] by bugman

Converted the test suite CaM RDC data for the rotor frame order model to the interatomic design.

2012-07-16 17:46:31 Tree
[r17257] by bugman

Merged revisions 17254-17255 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r17254 | bugman | 2012-07-16 12:02:30 +0200 (Mon, 16 Jul 2012) | 6 lines

Bug fix for the RDC Q factor calculations for when the dipolar constants are not all the same.

Now instead of a RelaxError, a warning is given and the Q factor normalised by 2Da^2(4 + 3R)/5 is
skipped. This allows long range and mixed nuclear pairs to be supported.
........
r17255 | bugman | 2012-07-16 15:26:11 +0200 (Mon, 16 Jul 2012) | 5 lines

Added the 'unit' argument to the dipole_pair.read_dist and dipole_pair.set_dist user functions.

This is to allow distances in Angstroms to be read into relax and converted to meters.
........

2012-07-16 16:26:42 Tree
[r17256] by bugman

Converted the Frame order specific _minimise_setup_rdcs() to the interatomic data design.

The _check_rdcs() method was added by directly copying the N-state model method.

2012-07-16 16:23:17 Tree
[r17255] by bugman

Added the 'unit' argument to the dipole_pair.read_dist and dipole_pair.set_dist user functions.

This is to allow distances in Angstroms to be read into relax and converted to meters.

2012-07-16 13:26:11 Tree
[r17254] by bugman

Bug fix for the RDC Q factor calculations for when the dipolar constants are not all the same.

Now instead of a RelaxError, a warning is given and the Q factor normalised by 2Da^2(4 + 3R)/5 is
skipped. This allows long range and mixed nuclear pairs to be supported.

2012-07-16 10:02:30 Tree
[r17253] by bugman

GPLv3 license updates for all files not found in the trunk.

2012-07-12 18:01:38 Tree
[r17252] by bugman

GPLv3 license updates for all files not found in the trunk.

2012-07-12 17:53:30 Tree
[r17251] by bugman

GPLv3 license updates for all files not found in the trunk.

2012-07-12 17:51:32 Tree
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