Pinned Repositories
GO_job_submission_script
This set of Python scripts submits three graphene oxide molecular mechanics calculations based on a cell optimization result obtained from the open source density functional theory code, CP2K.
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rasolercrespo's Repositories
rasolercrespo/GO_job_submission_script
This set of Python scripts submits three graphene oxide molecular mechanics calculations based on a cell optimization result obtained from the open source density functional theory code, CP2K.