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tilde-lab / aiida-crystal-dft

AiiDA plugin for the ab initio modeling suite CRYSTAL, developed in Turin University
MIT License
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Gaussian basis set handling is distributed (and re-implemented) across 3 different spots #34

Open blokhin opened 4 years ago

blokhin commented 4 years ago

Cross-posting https://github.com/tilde-lab/pycrystal/issues/9