ovilab / atomify

Atomify - a realtime LAMMPS visualizer
GNU General Public License v3.0
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Wrong exponent in compute_hexorder_atom #332

Closed andeplane closed 7 years ago

andeplane commented 7 years ago

I'm working on a 2d material and was going to use compute hexorder/atom to measure the order parameter. I'm adding a feature where you can use voronoi neighbors instead of the nearest nnn neighbors. When I looked through the code, it the exponent ndegree is not used and nnn is wrongly used in line 251 and lines 262-264.

andeplane commented 7 years ago

Wrong repo :P