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Rneb

Felix Tim Bölle requested to merge Feltbo/ase:RNEB into master

wazzap Here is the example I wanted to show you. As I remember I had a symmetry system in which case the RNEB found reflection symmetry only for specific lattice directions, although the system seemed to be symmetric. I could not find this example, but instead I used a simple fcc structure. Here I find depending on which path I choose either 2 or 4 reflection operations. I really thought that these paths have the exact same symmetry properties. Maybe you can have a look and then we can discuss! There is also the function for aligning indices. That one is just copy pasted. I'll think a bit about if its possible to make this function shorter.

For running it simply run the function test_is_reflective() in the test_rneb.py. I printed some output to the screen.

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