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popelier-group / ichor

Computational Chemistry Data Management Library for Machine Learning Force Field Development
https://ichor.readthedocs.io/
MIT License
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Use a config file for ichor #48

Closed m-julian closed 5 months ago

m-julian commented 5 months ago

Adds a config file (which is placed in the home directory be default). This config file contains hpc parameters, executable paths, and others.