relax SVN archive

Global spelling fix for the word 'indices'.

Merged revisions 6939-6940,6946-6951 via svnmerge from
svn+ssh://bugman@.../svn/relax/1.3

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r6939 | semor | 2008-07-11 15:13:22 +0200 (Fri, 11 Jul 2008) | 8 lines

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@...)
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r6940 | bugman | 2008-07-16 18:50:15 +0200 (Wed, 16 Jul 2008) | 3 lines

Made the spin_name arg optional in the spin.create() user function.
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r6946 | bugman | 2008-07-24 13:59:45 +0200 (Thu, 24 Jul 2008) | 3 lines

Improvements to the chi-squared value, gradient, and Hessian docstrings.
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r6947 | bugman | 2008-07-24 14:20:02 +0200 (Thu, 24 Jul 2008) | 9 lines

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!
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r6948 | bugman | 2008-07-24 14:37:10 +0200 (Thu, 24 Jul 2008) | 3 lines

Fixed the model-free optimisation code to use the dchi2_element and d2chi2_element functions.
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r6949 | bugman | 2008-07-24 14:45:23 +0200 (Thu, 24 Jul 2008) | 5 lines

Fixed the unit tests for dchi2_element and d2chi2_element.

Two new unit tests have been added for the dchi2 and d2chi2 functions as well.
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r6950 | bugman | 2008-07-24 14:46:16 +0200 (Thu, 24 Jul 2008) | 3 lines

Added some missing imports.
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r6951 | bugman | 2008-07-24 14:46:31 +0200 (Thu, 24 Jul 2008) | 3 lines

Removed some old code.
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A lot of modifications to the population N-state model optimisation code.

Removed some old code.

Added some missing imports.

Fixed the unit tests for dchi2_element and d2chi2_element.

Two new unit tests have been added for the dchi2 and d2chi2 functions as well.

Fixed the model-free optimisation code to use the dchi2_element and d2chi2_element functions.

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!

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

Fixes for the alignment tensor gradient function code.