djburrill / buildGrapheneFlake

Build graphene monolayer flakes of a specified radius

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buildGrapheneFlake

Build graphene monolayer flakes of a specified radius. The algorithm is quite slow for larger flakes, but should work fine for most use cases.

How to Use

This program uses command line options to specify the size (in terms of ring units) of the graphene flake and name of output XYZ:

python buildGrapheneFlake.py -r radius -f fileName

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Build graphene monolayer flakes of a specified radius

License:GNU General Public License v3.0


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Language:Python 100.0%