Python RCCSD Examples

Example #1

File: __init__.py Project: pulkin/pyscf

def RCCSD(mf, frozen=[], mo_coeff=None, mo_occ=None):
    mf = _convert_to_rhf(mf)
    return ccsd.RCCSD(mf, frozen, mo_coeff, mo_occ)

Example #2

File: __init__.py Project: armunoz/pyscf

def RCCSD(mf, frozen=[], mo_coeff=None, mo_occ=None):
    return ccsd.RCCSD(mf, frozen, mo_coeff, mo_occ)

Example #3

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)

Example #4

def RCCSD(mf, frozen=[]):
    return ccsd.RCCSD(mf, frozen)