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SVN archive Commit Log


Commit Date  
[r27153] by bugman

Fix for the parallax shift description in the structure.atomic_fluctuations user function.

The parallax shift is not quite orthogonal to the distance fluctuations.

2014-12-23 10:07:45 Tree
[r27152] by bugman

Improved the structure.atomic_fluctuations user function documentation.

The fluctuation categories are now better explained. And the 'parallax shift' option is now
available in the GUI.

2014-12-22 09:56:15 Tree
[r27151] by bugman

Proper implementation of the 'parallax shift' for the structure.atomic_fluctuations user function.

2014-12-22 08:19:50 Tree
[r27150] by bugman

Fix for the Structure.test_atomic_fluctuations_parallax system test.

The distance shifts need to be numbers, not vectors.

2014-12-22 08:19:13 Tree
[r27149] by bugman

Created the Structure.test_atomic_fluctuations_parallax system test.

This is to demonstrate that the parallax shift fluctuations are not implemented correctly.

2014-12-22 08:09:57 Tree
[r27148] by bugman

Updated the gnuplot scripts to be executable.

These are the scripts created by the gnuplot specific correlation_matrix() plotting API function.
The file is made executable and the script now starts with "#!/usr/bin/env gnuplot".

2014-12-19 18:31:23 Tree
[r27147] by bugman

Added the 'parallax shift' measure to the structure.atomic_fluctuations user function.

The parallax shift is defined as the length of the average vector minus the interatomic vector. It
is similar to the angle measure however, importantly, it is independent of the distance between the
two atoms.

2014-12-19 15:42:53 Tree
[r27146] by bugman

Description improvements and GUI layout fixes for the structure.atomic_fluctuations user function.

2014-12-19 14:10:42 Tree
[r27145] by bugman

Clean ups and speed ups of the structure.atomic_fluctuations user function.

Duplicate calculations are now avoided, as the SD matrix is symmetric.

2014-12-19 10:49:07 Tree
[r27144] by bugman

Implemented angular fluctuations for the structure.atomic_fluctuations user function.

This adds the measure argument to the user function to allow either the default of 'distance' or the
'angle' setting to be chosen. The implementation is confirmed by the
Structure.test_atomic_fluctuations_angle system test which now passes.

2014-12-19 10:23:46 Tree
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