1 if (sapt_dft_functional != "HF") and ((mon_a_shift == 0.0) or (mon_b_shift == 0.0)): 2 raise ValidationError('SAPT(DFT): must set both "SAPT_DFT_GRAC_SHIFT_A" and "B".') 3 4 if (core.get_option('SCF', 'REFERENCE') != 'RHF'): 5 raise ValidationError('SAPT(DFT) currently only supports restricted references.')
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