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@sunqm sunqm commented Aug 9, 2024

Regarding the feature request pyscf/pyscf#2308

@kousuke-nakano
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Dear @sunqm, thank you very much for the implementation of the PySCF -> TREX-IO converter. Please let me implement the ECP part because I have already done it in this PR.

@matthew-hennefarth
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@kousuke-nakano once you have an implementation of the ECP part, feel free to open a PR to this repository!

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4 participants