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by bennyp
03 Jun 2019, 18:04
Forum: General discussions
Topic: Dalton output format on the Basis Set Exchange
Replies: 1
Views: 2960

Dalton output format on the Basis Set Exchange

I am the lead maintainer of the new Basis Set Exchange (https://www.basissetexchange.org) For now, I have migrated over the algorithm for writing dalton output. However, I have seen some concerns about the output format not being correct, or at the very least inadequate. From the manual: The EMSL se...