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