コード例 #1
0
    def process_coeff(self, coeff):
        A = coeff['A']
        i = coeff['i']
        w = coeff['w']
        p = coeff['p']

        return _hoomd.make_scalar4(_hoomd.int_as_scalar(i), A, w,
                                   _hoomd.int_as_scalar(p))
コード例 #2
0
    def process_coeff(self, coeff):
        epsilon = coeff['epsilon']
        sigma = coeff['sigma']
        style = coeff['style']

        if style == 'slv-slv':
            style = 0
        elif style == 'coll-slv':
            style = 1
        elif style == 'coll-coll':
            style = 2
        else:
            hoomd.context.msg.error('Unknown interaction style\n')
            raise RuntimeError('Unknown interaction style')

        return _hoomd.make_scalar4(epsilon, sigma**3, sigma**6, _hoomd.int_as_scalar(style))