Python make_wall_mie_params示例

示例#1

    def process_coeff(self, coeff):
        epsilon = float(coeff['epsilon']);
        sigma = float(coeff['sigma']);
        n = float(coeff['n']);
        m = float(coeff['m']);

        mie1 = epsilon * math.pow(sigma, n) * (n/(n-m)) * math.pow(n/m,m/(n-m));
        mie2 = epsilon * math.pow(sigma, m) * (n/(n-m)) * math.pow(n/m,m/(n-m));
        mie3 = n
        mie4 = m
        return _md.make_wall_mie_params(_hoomd.make_scalar4(mie1, mie2, mie3, mie4), coeff['r_cut']*coeff['r_cut'], coeff['r_extrap']);

示例#2

文件： wall.py 项目： joaander/hoomd-blue

    def process_coeff(self, coeff):
        epsilon = float(coeff['epsilon']);
        sigma = float(coeff['sigma']);
        n = float(coeff['n']);
        m = float(coeff['m']);

        mie1 = epsilon * math.pow(sigma, n) * (n/(n-m)) * math.pow(n/m,m/(n-m));
        mie2 = epsilon * math.pow(sigma, m) * (n/(n-m)) * math.pow(n/m,m/(n-m));
        mie3 = n
        mie4 = m
        return _md.make_wall_mie_params(_hoomd.make_scalar4(mie1, mie2, mie3, mie4), coeff['r_cut']*coeff['r_cut'], coeff['r_extrap']);