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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
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    - 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.restrict_keys
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      - quemb.molbe.chemfrag.AutogenOutput.__init__
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    - quemb.molbe.lo.cano_orth
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    - quemb.molbe.solver.be_func
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    - quemb.molbe.sparse_2el_integral.gauss_sum
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      - quemb.molbe.sparse_2el_integral.TwoElIntegral.__init__
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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.helper.get_veff
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    - quemb.kbe.lo.KMF
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      - quemb.kbe.lo.KMF.__init__
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      - quemb.kbe.lo.Mixin_k_Localize.__init__
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  - quemb.kbe.misc
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    - quemb.kbe.misc.get_phase
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      - quemb.kbe.misc.storePBE.__init__
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    - quemb.kbe.solver.schmidt_decomp_svd
- quemb.shared
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    - quemb.shared.external.cphf_utils
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    - quemb.shared.external.cpmp2_utils
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  - quemb.shared.helper
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    - quemb.shared.io.write_cube
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  - quemb.shared.typing
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quemb.shared.external.cpmp2_utils.get_dmoe_F_r¶

quemb.shared.external.cpmp2_utils.get_dmoe_F_r(C, dF)¶

quemb.shared.external.cpmp2_utils.get_dmoe_F_u

quemb.shared.external.cpmp2_utils.get_dVovov_u

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quemb.shared.external.cpmp2_utils.get_dmoe_F_r
- get_dmoe_F_r()