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SVN archive Commit Log


Commit Date  
[r21392] by bugman

Added more R1rho model references to the bibliography file for the manual.

This includes the Trott and Palmer 2004 N-site and the Miloushev and Palmer 2005 2-site models. The
Trott and Palmer 2002 R1rho model reference has been expanded to include all details.

2013-11-06 13:03:43 Tree
[r21391] by bugman

Improvements to the pymol.view and molmol.view user functions for finding the PDB files.

Now the possibility that this is being run from a results subdirectory is taken into consideration.
If the file cannot be found, the os.pardir parent directory is added to the start of the relative
path and the file checked for.

2013-11-06 09:21:38 Tree
[r21390] by bugman

Update for NESSY in the dispersion software comparison table of the manual.

2013-11-05 16:12:43 Tree
[r21389] by bugman

Expanded the abbreviations of the user manual for many relaxation dispersion terms.

2013-11-05 14:32:26 Tree
[r21388] by bugman

A bit more editing of the dispersion software comparison table of the manual.

2013-11-05 14:21:37 Tree
[r21387] by bugman

Updated the dispersion software comparison table in the manual for GUARDD.

This is based on feedback from Ian Kleckner <ian dott kleckner att gmail dott com>.

2013-11-05 13:57:57 Tree
[r21386] by bugman

More updates for the dispersion software comparison table in the manual.

2013-11-05 11:24:33 Tree
[r21385] by bugman

Updates for the grid search and GLOVE in the dispersion software comparison table in the manual.

2013-11-05 10:47:58 Tree
[r21384] by bugman

More updates for the dispersion software comparison in the manual.

2013-11-05 10:36:11 Tree
[r21383] by bugman

Editing and expansion of the dispersion software comparison table in the manual.

The optimisation algorithms are now listed, where known. A number of entries and sections have also
been rearranged.

2013-11-05 09:49:25 Tree
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