def hybrid_2c_coeff(ni, xc_code, spin=0): ''' Wrapper to the xc_code hybrid coefficient parser to return the exchange and correlation components of the hybrid coefficent separately ''' # For all prebuilt and exchange-only functionals, hyb_c = 0 if not re.search(',', xc_code): return [_NumInt.hybrid_coeff(ni, xc_code, spin=0), 0] # All factors of 'HF' are summed by default. Therefore just run the same code for the exchange and correlation parts of the string separately x_code, c_code = xc_code.split(',') c_code = ',' + c_code hyb_x = _NumInt.hybrid_coeff(ni, x_code, spin=0) if len(x_code) else 0 hyb_c = _NumInt.hybrid_coeff(ni, c_code, spin=0) if len(c_code) else 0 return [hyb_x, hyb_c]
def ft_hybrid_coeff(ni, xc_code, spin=0): return _NumInt.hybrid_coeff(ni, xc_code[2:], spin=0)