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Support Frozen Core from Psi4 Molecules #62

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JonathonMisiewicz opened this issue Mar 25, 2021 · 2 comments
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Support Frozen Core from Psi4 Molecules #62

JonathonMisiewicz opened this issue Mar 25, 2021 · 2 comments
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enhancement New feature or request

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@JonathonMisiewicz
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Currently, the frozen_indices keyword is only recognized by the OpenFermionMolAdapted. It isn't recognized by the Psi4MolAdapter, which blocks use of frozen core approximation for such molecules.

@JonathonMisiewicz JonathonMisiewicz added the enhancement New feature or request label Mar 25, 2021
@JonathonMisiewicz JonathonMisiewicz self-assigned this May 18, 2021
@JonathonMisiewicz
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Transferred to Ilias, since he volunteered.

@JonathonMisiewicz
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Closed by #149.

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