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Installation
API reference
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- quemb.molbe
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quemb.molbe.mf_interfaces.pyscf_interface.get_mf_pyscf¶

quemb.molbe.mf_interfaces.pyscf_interface.get_mf_pyscf(mol)¶

Run an RHF calculation in pyscf

Return type:: RHF

quemb.molbe.misc

quemb.molbe.mf_interfaces.pyscf_interface.create_mf

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quemb.molbe.mf_interfaces.pyscf_interface.get_mf_pyscf
- get_mf_pyscf()