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SVN archive Commit Log


Commit Date  
[r6790] by bugman

Finished modifying the vectors() method to handle bond vectors more flexibly.

2008-07-07 12:05:52 Tree
[r6789] by bugman

Improved the vectors() function print out.

2008-07-07 11:56:17 Tree
[r6788] by bugman

Renamed the structural API method num_models() to num_structures().

2008-07-07 11:53:47 Tree
[r6787] by bugman

Started to redesign the vectors() function.

2008-07-07 11:52:16 Tree
[r6786] by bugman

Redesign of the structure.vectors() user function to allow more flexibility with multiple structures.

2008-07-07 09:54:03 Tree
[r6785] by bugman

Fix for optimisation requiring the presence of structural data.

2008-07-07 06:24:59 Tree
[r6784] by semor

Converted the output file to 'devnull'.

2008-07-06 16:52:50 Tree
[r6783] by bugman

A few fixes for the 'final' run of the full_analysis.py script.

2008-07-06 00:29:13 Tree
[r6782] by bugman

Updated the results file for the new XML output with IEEE-754 byte arrays.

2008-07-06 00:25:10 Tree
[r6781] by bugman

Created a relax script to regenerate final_results_trunc_1.3.bz2 from final_results_trunc_1.2.bz2.

2008-07-06 00:24:35 Tree
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