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Commit Date  
[r26633] by bugman

Expanded the N_state_model.test_5_state_xz system test for more alignment tensor basis sets.

The align_tensor.matrix_angles and align_tensor.svd user functions are now being called with the
additional 'irreducible 5D', and 'unitary 9D' basis sets, to make sure these work correctly.

2014-11-19 17:27:28 Tree
[r26632] by bugman

Small fix for the align_tensor.matrix_angles user function documentation.

2014-11-19 17:21:50 Tree
[r26631] by bugman

Fix for a spelling mistake in the align_tensor.matrix_angles user function printouts.

2014-11-19 17:08:18 Tree
[r26630] by bugman

Updated the script and log file for demonstrating differences between alignment tensor basis sets.

The 'irreducible 5D' basis set in now used for both the align_tensor.matrix_angles and
align_tensor.svd user functions.

2014-11-19 17:01:26 Tree
[r26629] by bugman

Editing of the align_tensor.svd user function description.

2014-11-19 16:50:42 Tree
[r26628] by bugman

Editing of the description for the align_tensor.matrix_angles user function.

2014-11-19 16:44:46 Tree
[r26627] by bugman

Editing of the description for the 'irreducible 5D' alignment tensor basis set.

This is for the align_tensor.matrix_angles and align_tensor.svd user functions. All Sm element have
been converted to Am.

2014-11-19 16:33:51 Tree
[r26626] by bugman

Added the 'irreducible 5D' basis set option to the align_tensor.svd user function.

This is for the inter-tensor vector angle for the irreducible 5D basis set {A-2, A-1, A0, A1, A2}.
Its results match that of the 'unitary 9D' basis set.

2014-11-19 16:29:26 Tree
[r26625] by bugman

Added the 'irreducible 5D' basis set option to the align_tensor.matrix_angles user function.

This is for the inter-tensor vector angle for the irreducible 5D basis set {S-2, S-1, S0, S1, S2}.
Its results match that of the standard tensor angle as well as the 'unitary 9D' basis sets.

2014-11-19 15:40:12 Tree
[r26624] by bugman

Created functions in the relax library for calculating the inter-vector angle for complex vectors.

This is in the lib.geometry.vectors module. The function vector_angle_complex_conjugate() has been
created to calculate the angle between two complex vectors. This uses the new auxiliary function
complex_inner_product() to calculate <v1|v2>.

2014-11-19 15:20:53 Tree
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