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Installation
API reference
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- quemb.molbe
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  - quemb.molbe.autofrag
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    - quemb.molbe.autofrag.autogen
    - quemb.molbe.autofrag.chemgen
    - quemb.molbe.autofrag.euclidean_distance
    - quemb.molbe.autofrag.graphgen
    - quemb.molbe.autofrag.ChemGenArgs
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      - quemb.molbe.autofrag.ChemGenArgs.__init__
    - quemb.molbe.autofrag.FragmentMap
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      - quemb.molbe.autofrag.FragmentMap.__init__
      - quemb.molbe.autofrag.FragmentMap.remove_nonnunique_frags
  - quemb.molbe.be_parallel
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  - quemb.molbe.chemfrag
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    - quemb.molbe.chemfrag.restrict_keys
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    - quemb.molbe.sparse_2el_integral.gauss_sum
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  - quemb.molbe.ube
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    - quemb.molbe.ube.initialize_pot
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- quemb.kbe
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  - quemb.kbe.autofrag
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    - quemb.kbe.chain.findH
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  - quemb.kbe.misc
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    - quemb.kbe.misc.get_phase
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    - quemb.kbe.solver.schmidt_decomp_svd
- quemb.shared
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  - quemb.shared.helper
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  - quemb.shared.typing
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quemb.shared.typing.KwargDict¶

quemb.shared.typing.KwargDict¶

Type annotation for dictionaries holding keyword arguments.

alias of Dict[str, Any]

quemb.shared.typing.T

quemb.shared.typing.PathLike

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quemb.shared.typing.KwargDict
- KwargDict