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geem-lab / pnictogen

⚛️ A Python library and a command-line tool that creates input files for computational chemistry packages
https://pypi.org/project/pnictogen/
MIT License
18 stars 4 forks source link

Options from command-line to template context #11

Open schneiderfelipe opened 5 years ago

schneiderfelipe commented 5 years ago

Options such as --charge or --mult would be useful for usage in the command-line.