def __init__(self, bondingtype1, bondingtype2, sigma=0.0 * units.nanometers, epsilon=0.0 * units.kilojoules_per_mole, scaleLJ=None, scaleQQ=None, long=False): AbstractPairType.__init__(self, bondingtype1, bondingtype2, scaleLJ, scaleQQ, long) self.sigma = sigma self.epsilon = epsilon
def __init__(self, bondingtype1, bondingtype2, C6=0.0 * units.kilojoules_per_mole * units.nanometers ** (6), C12=0.0 * units.kilojoules_per_mole * units.nanometers ** (12), scaleLJ=None, scaleQQ=None, long=False): AbstractPairType.__init__(self, bondingtype1, bondingtype2, scaleLJ, scaleQQ, long) self.C6 = C6 self.C12 = C12
def __init__(self, bondingtype1, bondingtype2, scaleLJ=None, scaleQQ=None, long=False): AbstractPairType.__init__(self, bondingtype1, bondingtype2, scaleLJ, scaleQQ, long)
def __init__(self, bondingtype1, bondingtype2, qi=0.0 * units.elementary_charge, qj=0.0 * units.elementary_charge, C6=0.0 * units.kilojoules_per_mole * units.nanometers ** (6), C12=0.0 * units.kilojoules_per_mole * units.nanometers ** (12), scaleLJ=None, scaleQQ=None, long=False): AbstractPairType.__init__(self, bondingtype1, bondingtype2, scaleLJ, scaleQQ, long) self.qi = qi self.qj = qj self.C6 = C6 self.C12 = C12
def __init__(self, bondingtype1, bondingtype2, qi=0.0 * units.elementary_charge, qj=0.0 * units.elementary_charge, sigma=0.0 * units.nanometers, epsilon=0.0 * units.kilojoules_per_mole, scaleLJ=None, scaleQQ=None, long=False): AbstractPairType.__init__(self, bondingtype1, bondingtype2, scaleLJ, scaleQQ, long) self.qi = qi self.qj = qj self.sigma = sigma self.epsilon = epsilon
def __init__(self, bondingtype1, bondingtype2, qi=0.0 * units.elementary_charge, qj=0.0 * units.elementary_charge, C6=0.0 * units.kilojoules_per_mole * units.nanometers**(6), C12=0.0 * units.kilojoules_per_mole * units.nanometers**(12), scaleLJ=None, scaleQQ=None, long=False): AbstractPairType.__init__(self, bondingtype1, bondingtype2, scaleLJ, scaleQQ, long) self.qi = qi self.qj = qj self.C6 = C6 self.C12 = C12