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A tool for creating and modifying crystal structures relevant to materials science. Outputs can be used for atomic simulation.
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This project uses Python virtualenv to simplify environment consistency. Simply
pip3 install -r requirements.txt
to install the needed dependencies. If, during development, you introduce new package dependencies, then ensure you generate a new requirements.txt:
pip3 freeze --user > requirements.txt
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To run, you need to create a *.py script that imports crystal ninja as well as numpy:
import numpy as np
import crystalninja as cn
Look at test.py for an example. To execute, execute in terminal using Python 3:
python3 test.py