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Commit Date  
[r6947] by bugman

Overhaul of the chi-squared gradient and Hessian functions.

The original functions have been renamed to dchi2_element and d2chi2_element as these calculate the
gradient for element j and the Hessian for element {j, k}. Two new functions, dchi2 and d2chi2 have
been written to calculate the full gradient and Hessian in one function call.

These changes will temporarily break a lot of code!

2008-07-24 12:20:02 Tree
[r6946] by bugman

Improvements to the chi-squared value, gradient, and Hessian docstrings.

2008-07-24 11:59:45 Tree
[r6945] by bugman

Fixes for the alignment tensor gradient function code.

2008-07-23 11:36:31 Tree
[r6944] by bugman

Wrote functions for all the alignment tensor gradients.

2008-07-23 11:33:22 Tree
[r6943] by bugman

Import fixes.

2008-07-23 09:48:36 Tree
[r6942] by bugman

Split the rdc module in half, shifting the alignment tensor components into their own module.

2008-07-23 09:47:41 Tree
[r6941] by bugman

Started to add the framework for the addition of gradients and Hessians.

2008-07-23 09:27:38 Tree
[r6940] by bugman

Made the spin_name arg optional in the spin.create() user function.

2008-07-16 16:50:15 Tree
[r6939] by semor

Started the modification from 'devnull' to tempfiles.

This is as proposed by Edward d'Auvergne to catch the creation of a well formatted and non empty
tensor pdb file and was discussed in a post at:
https://mail.gna.org/public/relax-devel/2008-07/msg00029.html (message ID:
7f080ed10807081248r1f0fda8axd17768bb841efe71@...)

2008-07-11 13:13:22 Tree
[r6938] by bugman

Inverted the population scaling factor in __assemble_scaling_matrix().

2008-07-10 12:46:35 Tree
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