A package to ease running some MD and DFT codes, particularly on the Imperial HPC.
Project description
Project: https://github.com/chrisjsewell/atomic-hpc
A package to ease running some MD and DFT codes, particularly on the Imperial HPC.
Installation
As outlined at: https://wiki.imperial.ac.uk/display/HPC/Python
module load anaconda3/personal anaconda-setup pip install atomic-hpc
Example Use
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