Exemple #1
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def RCCSD(mf, frozen=[], mo_coeff=None, mo_occ=None):
    mf = _convert_to_rhf(mf)
    return ccsd.RCCSD(mf, frozen, mo_coeff, mo_occ)
Exemple #2
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def RCCSD(mf, frozen=[], mo_coeff=None, mo_occ=None):
    return ccsd.RCCSD(mf, frozen, mo_coeff, mo_occ)
Exemple #3
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def RCCSD(mf, frozen=None, mo_coeff=None, mo_occ=None):
    mf = scf.addons.convert_to_rhf(mf)
    return ccsd.RCCSD(mf, frozen, mo_coeff, mo_occ)
Exemple #4
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def RCCSD(mf, frozen=[]):
    return ccsd.RCCSD(mf, frozen)