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- s = adf_general_settings()
- # Basis
- s.specific.adf.basis.type = '{}'.format(basis)
- s.specific.adf.basis.core = 'none'
- #COSMO
- s.specific.adf.Solvation.solvent = 'name=Dichloromethane emp=0.0 neql=2.028'
- # functional
- s.specific.adf.xc.hybrid = 'CAMYB3LYP'
- s.specific.adf.xc.xcfun = ''
- s.specific.adf.xc.rangesep = ''
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