DL POLY file default paths

popelier-group / ichor

Computational Chemistry Data Management Library for Machine Learning Force Field Development

https://ichor.readthedocs.io/

MIT License

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DL POLY file default paths #51

Closed m-julian closed 5 months ago

m-julian commented 5 months ago

DL POLY files have very specific names, so it is better to have default paths. Then it is only necessary to pass in required arguments to make the files.

m-julian commented 5 months ago

Fixed in 7fbbbd3bd9e925895c7d639cb5d2a79c9951fb2c