diff --git a/examples/Data/Validation_Dreyer_BulkSurface.npz b/examples/Data/Validation_Dreyer_BulkSurface.npz index 60f3564ec8ca059f03c3e0441f211292d907a1d5..890bf4b83b36a51dcfc318ba042b65165582715e 100644 Binary files a/examples/Data/Validation_Dreyer_BulkSurface.npz and b/examples/Data/Validation_Dreyer_BulkSurface.npz differ diff --git a/examples/Figures/ValidationDreyerPaper.pdf b/examples/Figures/ValidationDreyerPaper.pdf index df627261268900e71348b0dc73ba2dc6f581bc1f..f66af362c69e7a8a9c020569dbc4059cd9a1f077 100644 Binary files a/examples/Figures/ValidationDreyerPaper.pdf and b/examples/Figures/ValidationDreyerPaper.pdf differ diff --git a/examples/ReproducableCode/ValidationDreyer.py b/examples/ReproducableCode/ValidationDreyer.py index 98e464dde111f2a1cb4a2c06d3812a30b04200a7..54151b0a8d1acb0f4f0f8c59c2d52af693356bdb 100644 --- a/examples/ReproducableCode/ValidationDreyer.py +++ b/examples/ReproducableCode/ValidationDreyer.py @@ -62,7 +62,7 @@ a2 = 0.00075 # 0.0007 # Lambda2 = Lambda2 * 1e-1 # Solver parameters -number_cells = 1024 +number_cells = 1024*4 # number_cells_PB = number_cells*16 relax_param = 0.005 refinement_style = 'log' @@ -91,7 +91,7 @@ x_dimless.append(x_) # ? Additional issue from NP -> very bad convergence # Apply extra refinement because of bad convergence, but use larger relaxation parameter due to the simplified system to two equations # Use only system of 2 equations to get better convergence -y_A_, y_C_, phi_, p_, x_ = solve_System_2eq(phi_L_dimless, phi_R_dimless, pR, z_A, z_C, y_A_R, y_C_R, K, Lambda2, a2, number_cells, solvation=0, PoissonBoltzmann=True, relax_param=0.7, refinement_style='hard_hard_log', return_type=return_type, max_iter=max_iter, rtol=rtol) +y_A_, y_C_, phi_, p_, x_ = solve_System_2eq(phi_L_dimless, phi_R_dimless, pR, z_A, z_C, y_A_R, y_C_R, K, Lambda2, a2, number_cells, solvation=0, PoissonBoltzmann=True, relax_param=1.0, refinement_style='hard_hard_log', return_type=return_type, max_iter=max_iter, rtol=1e-6) # 0.7 # oder hard_log + 1024*4 grids y_A_dimless.append(y_A_) y_C_dimless.append(y_C_) y_S_dimless.append(1 - y_A_ - y_C_)