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SVN archive Commit Log


Commit Date  
[r19155] by bugman

Shifted calc_chi_tensor() and kappa() from pipe_control.align_tensor to lib.alignment.alignment_tensor.

2013-03-26 10:43:52 Tree
[r19154] by bugman

The frame order analysis is now using the correct centre of mass function.

2013-03-24 21:26:59 Tree
[r19153] by bugman

Speed ups for the interatom_loop() by restoring some of the code deleted at r19149.

This spin ID lookup table is being used again, as this is much faster than the string parsing of
spin IDs.

2013-03-24 21:22:56 Tree
[r19152] by bugman

Restored the selection object __contains_spin_id() method as contains_spin_id().

This will allow for faster checks for matches to spin ID strings.

2013-03-24 21:17:25 Tree
[r19151] by bugman

Fix for the pipe_control.relax_data.pack_data() function for the selection object changes.

2013-03-24 21:06:21 Tree
[r19150] by bugman

Fixes for the cone PDB representation.

2013-03-24 20:55:58 Tree
[r19149] by bugman

Fixes for the interatomic_loop() function for the selection object changes.

2013-03-24 20:49:57 Tree
[r19148] by bugman

Removed the parser argument from structure.read_pdb in the stereochemistry auto-analysis.

2013-03-24 20:25:12 Tree
[r19147] by bugman

More removals of the now dead parser argument for the structure.read_pdb user function.

2013-03-24 20:23:46 Tree
[r19146] by bugman

Fix for the select.domain user function backend for the changes to the selection object.

2013-03-24 20:21:45 Tree
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