diff --git a/phasefield/analytical.py b/phasefield/analytical.py index 2a3854e287b70bb9ad8142b0e04bd62dd9aa767a..39796f0834734146d9bd5c7323b482afe5045501 100644 --- a/phasefield/analytical.py +++ b/phasefield/analytical.py @@ -373,5 +373,5 @@ def force_from_pressure_tensor(pressure_tensor, functions=None, pbs=None): def pressure_tensor_bulk_sqrt_term(free_energy, order_parameters, density, c_s_sq=sp.Rational(1, 3)): - pbs = sp.sqrt(density*c_s_sq - pressure_tensor_bulk_component(free_energy, order_parameters)) + pbs = sp.sqrt(density * c_s_sq - pressure_tensor_bulk_component(free_energy, order_parameters)) return pbs diff --git a/phasefield/contact_angle_circle_fitting.py b/phasefield/contact_angle_circle_fitting.py index 10976f75be99d580db789a55429ee1c01699df46..606c5f12b375ba10d22526eda48196a53468f2ca 100644 --- a/phasefield/contact_angle_circle_fitting.py +++ b/phasefield/contact_angle_circle_fitting.py @@ -69,7 +69,7 @@ def fit_circle(points): def point_distances(xc, yc): """ calculate the distance of each 2D points from the center (xc, yc) """ - return np.sqrt((points[:, 0]-xc)**2 + (points[:, 1]-yc)**2) + return np.sqrt((points[:, 0] - xc) ** 2 + (points[:, 1] - yc) ** 2) def f(c): """ calculate the algebraic distance between the data points and the mean circle centered at c=(xc, yc) """ diff --git a/phasefield/experiments1D.py b/phasefield/experiments1D.py index 90058e2ffeaad8d574f21a6998bc84f838bb7f1e..828fcc585613d6f0422bf8b798b3882cd5ff97a7 100644 --- a/phasefield/experiments1D.py +++ b/phasefield/experiments1D.py @@ -89,9 +89,8 @@ def init_tanh(pf_step, phase_idx, x1=None, x2=None, width=1): x = b.cell_index_arrays[0] phi = b[pf_step.phi_field_name] - phi[..., phase_idx] = (1 + np.tanh((x - x1) / (2 * width))) / 2 + \ - (1 + np.tanh((-x + x2) / (2 * width))) / 2 \ - -1 + phi[..., phase_idx] = (1 + np.tanh((x - x1) / (2 * width))) / 2 + \ + (1 + np.tanh((-x + x2) / (2 * width))) / 2 - 1 pf_step.set_pdf_fields_from_macroscopic_values() diff --git a/phasefield/kerneleqs.py b/phasefield/kerneleqs.py index 65b8b60758cb02207b2e9d3de254599ddc7b6b76..c0c522cf9f2ffc8c2d55d3af7c8aeaf4277f8c47 100644 --- a/phasefield/kerneleqs.py +++ b/phasefield/kerneleqs.py @@ -2,8 +2,8 @@ import sympy as sp from pystencils import Assignment from pystencils.fd import Discretization2ndOrder from lbmpy.phasefield.analytical import chemical_potentials_from_free_energy, substitute_laplacian_by_sum, \ - force_from_phi_and_mu, symmetric_tensor_linearization, pressure_tensor_from_free_energy, force_from_pressure_tensor, \ - pressure_tensor_bulk_sqrt_term + force_from_phi_and_mu, symmetric_tensor_linearization, pressure_tensor_from_free_energy, \ + force_from_pressure_tensor, pressure_tensor_bulk_sqrt_term # ---------------------------------- Kernels to compute force ---------------------------------------------------------- diff --git a/phasefield/phasefieldstep.py b/phasefield/phasefieldstep.py index d15a6558426e145bd1f1c44f4f97095850f351cb..74bafa65ea0e1d5355f0876a150ca0ae2991661b 100644 --- a/phasefield/phasefieldstep.py +++ b/phasefield/phasefieldstep.py @@ -103,7 +103,8 @@ class PhaseFieldStep: self.pbs_field = dh.add_array(self.pbs_field_name, gpu=gpu) self.pressure_tensor_eqs = pressure_tensor_kernel_pbs(self.free_energy, order_parameters, self.phi_field, self.pressure_tensor_field, self.pbs_field, dx=dx, - density_field=None) # TODO get current density! not last one + density_field=None) + # TODO get current density! not last one # TODO call post-run on hydro-lbm before computing pbs to store the latest density else: self.pressure_tensor_eqs = pressure_tensor_kernel(self.free_energy, order_parameters, diff --git a/phasefield/scenarios.py b/phasefield/scenarios.py index 807970ea33e919e184eafa9b76e5dec2a6bb3026..49ce06cb7114308de99a1dc2b1024a89f6f6b525 100644 --- a/phasefield/scenarios.py +++ b/phasefield/scenarios.py @@ -11,7 +11,7 @@ def create_three_phase_model(alpha=1, kappa=(0.015, 0.015, 0.015), include_rho=T sp.Symbol("kappa_1"): kappa[1], sp.Symbol("kappa_2"): kappa[2]} if 'cahn_hilliard_gammas' not in kwargs: - kwargs['cahn_hilliard_gammas'] = [1, 1, 1/3] + kwargs['cahn_hilliard_gammas'] = [1, 1, 1 / 3] if include_rho: order_parameters = sp.symbols("rho phi psi")