예제 #1
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파일: pair.py 프로젝트: khuston/hoomd-blue
    def process_coeff(self, coeff):
        epsilon = coeff['epsilon'];
        sigma = coeff['sigma'];
        alpha = coeff['alpha'];

        lj1 = 4.0 * epsilon * math.pow(sigma, 12.0);
        lj2 = alpha * 4.0 * epsilon * math.pow(sigma, 6.0);
        return hoomd.make_scalar2(lj1, lj2);
예제 #2
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파일: pair.py 프로젝트: harperic/hoomd-blue
    def process_coeff(self, coeff):
        epsilon = coeff['epsilon']
        sigma = coeff['sigma']
        alpha = coeff['alpha']

        lj1 = 4.0 * epsilon * math.pow(sigma, 12.0)
        lj2 = alpha * 4.0 * epsilon * math.pow(sigma, 6.0)
        return hoomd.make_scalar2(lj1, lj2)
예제 #3
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    def process_coeff(self, coeff):
        epsilon = coeff["epsilon"]
        sigma = coeff["sigma"]
        alpha = coeff["alpha"]

        lj1 = 4.0 * epsilon * math.pow(sigma, 12.0)
        lj2 = alpha * 4.0 * epsilon * math.pow(sigma, 6.0)
        return hoomd.make_scalar2(lj1, lj2)
예제 #4
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    def process_coeff(self, coeff):
        epsilon = coeff['epsilon']
        sigma = coeff['sigma']
        alpha = coeff['alpha']

        lj1 = 4.0 * epsilon * math.pow(sigma, 12.0)
        lj2 = alpha * 4.0 * epsilon * math.pow(sigma, 6.0)
        return hoomd.make_walls_force_shifted_lj_params(
            hoomd.make_scalar2(lj1, lj2), coeff['r_cut'] * coeff['r_cut'],
            coeff['r_extrap'])
예제 #5
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    def process_coeff(self, coeff):
        k = coeff['k']
        r0 = coeff['r0']

        # set the parameters for the appropriate type
        return hoomd.make_scalar2(k, r0)
예제 #6
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    def process_coeff(self, coeff):
        k = coeff['k'];
        r0 = coeff['r0'];

        # set the parameters for the appropriate type
        return hoomd.make_scalar2(k, r0);
예제 #7
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    def process_coeff(self, coeff):
        k = coeff["k"]
        r0 = coeff["r0"]

        # set the parameters for the appropriate type
        return hoomd.make_scalar2(k, r0)
예제 #8
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    def process_coeff(self, coeff):
	gamma = coeff['gamma'];
	npower = coeff['npower'];
       
        return hoomd.make_scalar2(gamma, npower);
예제 #9
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 def process_coeff(self, coeff):
     a = coeff['A']
     gamma = 0
     return hoomd.make_scalar2(a, gamma)
예제 #10
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    def process_coeff(self, coeff):
        epsilon = coeff['epsilon']
        kappa = coeff['kappa']

        return hoomd.make_scalar2(epsilon, kappa)
예제 #11
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    def process_coeff(self, coeff):
        epsilon = coeff['epsilon']
        sigma = coeff['sigma']

        return hoomd.make_scalar2(epsilon, sigma)
예제 #12
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 def process_coeff(self, coeff):
     epsilon = coeff['epsilon']
     kappa = coeff['kappa']
     return hoomd.make_walls_yukawa_params(
         hoomd.make_scalar2(epsilon, kappa),
         coeff['r_cut'] * coeff['r_cut'], coeff['r_extrap'])
예제 #13
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 def process_coeff(self, coeff):
     epsilon = coeff['epsilon']
     sigma = coeff['sigma']
     return hoomd.make_walls_gauss_params(
         hoomd.make_scalar2(epsilon, sigma),
         coeff['r_cut'] * coeff['r_cut'], coeff['r_extrap'])