compute orientorder/atom

Dear All
I’m working on polyethylene crystallization, and now I want to analyze the transformation of crystal types during crystallization.
According to li liangbing’s literature in 2017, he identified the hexagonal and orthogonal crystals of polyethylene by calculating the value of Q4 in the system. I wrote " compute orientorder/atom degrees 4 4 components 4 NNN NULL cutoff 11" according to lamms-manual, but I did not find out how to output the data and what the data means.Has anybody done this calculation?
Since the research group has never touched on this issue before, I would really appreciate it if you could give me a specific example like this!

Best regards,






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as to how to output the data from this compute. this compute produces per-atom data, so you can output it with a custom style dump file. for more details, please see the corresponding howto section in the manual and the documentation pages of the specific commands.

as for how to interpret the results. the documentation page for the orientorder/atom compute lists 3 publications. i suggest you obtain copies of them and study them in addition to the information that the documentation page provides directly or any publication that discusses using the output of this command (as you already noted).