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SVN archive Commit Log


Commit Date  
[r6896] by bugman

Created maxA() for finding the maximal alignment or the Azz component in the alignment frame.

2008-07-09 14:49:43 Tree
[r6895] by bugman

Fixes for the to_tensor() function. The tensor was completely wrong.

2008-07-09 14:42:14 Tree
[r6894] by bugman

Modified the to_tensor() to be more efficient by working only with numpy arrays.

2008-07-09 14:39:11 Tree
[r6893] by bugman

Created the to_5D() function for converting from matrix form to 5D vector form.

2008-07-09 14:36:25 Tree
[r6892] by bugman

Some fixes for the to_tensor() function. The elements Ayx, Azx, and Azy were being referenced!

2008-07-09 14:28:49 Tree
[r6891] by bugman

Created the to_tensor() function to convert from 5D vector to 3D matrix.

2008-07-09 14:25:57 Tree
[r6890] by bugman

Docstring fix for average_rdc_5D(). The XH vectors must be unit vectors!

2008-07-09 14:20:01 Tree
[r6889] by bugman

Created the average_rdc_tensor() function.

This is equivalent to the average_rdc_5D() function but takes the full tensor in numpy matrix form
rather than the elements of the 5D vector.

2008-07-09 14:19:13 Tree
[r6888] by bugman

Created the average_rdc_5D() function.

This calculates the average RDC for an ensemble set of XH bond vectors, using the 5D alignment
tensor notation.

2008-07-09 14:13:45 Tree
[r6887] by bugman

Created an empty module to dump RDC related computational functions into.

2008-07-09 13:49:39 Tree
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