qc2nl / qc2

Facilitate the orchestration of quantum chemistry applications on quantum computers
https://qc2.readthedocs.io/
Apache License 2.0
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Extends ADF-ASE calculator #15

Open Cmurilochem opened 1 year ago

Cmurilochem commented 1 year ago

Adds functionality to retrieve mos and integrals. This task will be perhaps better done together with SCM in the near-future.