diff --git a/.gitignore b/.gitignore index 4c0fdcaaa5c58fa89c064d0a9b2de0f6333c9922..dd32087c1a0043f1c1093e1fab405a7a64e8938d 100644 --- a/.gitignore +++ b/.gitignore @@ -4,6 +4,11 @@ *.ipynb_checkpoints # ignore python cache *__pycache__* +*.__pycache__ +*test/__pycache__ +*src/__pycache__ +*examples/__pycache__ +*examples/ReproduableCode/__pycache__ *.pytest_cache* # ignore Sphinx documentation output *docs/build diff --git a/examples/ReproducableCode/__pycache__/TernaryElectrolyte.cpython-312.pyc b/examples/ReproducableCode/__pycache__/TernaryElectrolyte.cpython-312.pyc deleted file mode 100644 index a80ab9785688a27caa0273ead29eea11d02a698f..0000000000000000000000000000000000000000 Binary files a/examples/ReproducableCode/__pycache__/TernaryElectrolyte.cpython-312.pyc and /dev/null differ diff --git a/examples/ReproducableCode/__pycache__/__init__.cpython-312.pyc b/examples/ReproducableCode/__pycache__/__init__.cpython-312.pyc deleted file mode 100644 index ab8cda1f924e7ee83dade32b42603274c1ab7693..0000000000000000000000000000000000000000 Binary files a/examples/ReproducableCode/__pycache__/__init__.cpython-312.pyc and /dev/null differ diff --git a/src/Eq02.py b/src/Eq02.py index f4309f3b57da000773c020a33818a30cd3cc73d7..bfe3c16871951f56592b7e970bd673c1556091cd 100644 --- a/src/Eq02.py +++ b/src/Eq02.py @@ -13,7 +13,7 @@ from dolfinx.nls.petsc import NewtonSolver from ufl import TestFunctions, split, dot, grad, dx, inner, Mesh, exp from basix.ufl import element, mixed_element import matplotlib.pyplot as plt -from RefinedMesh1D import create_refined_mesh +from src.RefinedMesh1D import create_refined_mesh def solve_System_2eq(phi_left:float, phi_right:float, p_right:float, z_A:float, z_C:float, y_A_R:float, y_C_R:float, K:float|str, Lambda2:float, a2:float, number_cells:int, solvation:float = 0, PoissonBoltzmann:bool=False, relax_param:float=None, x0:float=0, x1:float=1, refinement_style:str='uniform', return_type:str='Scalar', rtol:float=1e-8, max_iter:float=500): diff --git a/src/Eq04.py b/src/Eq04.py index 3c1a2c4d798e0ddf558f6d997f7b5bc03a97e0d3..7ad5b9b0c11f8e948a8b5f1be5cf5a0af5b0e078 100644 --- a/src/Eq04.py +++ b/src/Eq04.py @@ -13,7 +13,7 @@ from dolfinx.nls.petsc import NewtonSolver from ufl import TestFunctions, split, dot, grad, dx, inner, ln, Mesh from basix.ufl import element, mixed_element import matplotlib.pyplot as plt -from RefinedMesh1D import create_refined_mesh +from src.RefinedMesh1D import create_refined_mesh def solve_System_4eq(phi_left:float, phi_right:float, p_right:float, z_A:float, z_C:float, y_A_R:float, y_C_R:float, K:float|str, Lambda2:float, a2:float, number_cells:int, solvation:float = 0, PoissonBoltzmann:bool=False, relax_param:float=None, x0:float=0, x1:float=1, refinement_style:str='uniform', return_type:str='Scalar', rtol:float=1e-8, max_iter:float=500): diff --git a/src/EqN.py b/src/EqN.py index 8c12c23ac07171c90e69f6becffd5c5045e44eaa..bf5af10b1612e956d84572c5cfd291fb4fb358b8 100644 --- a/src/EqN.py +++ b/src/EqN.py @@ -13,7 +13,7 @@ from dolfinx.nls.petsc import NewtonSolver from ufl import TestFunctions, split, dot, grad, dx, inner, ln, Mesh from basix.ufl import element, mixed_element import matplotlib.pyplot as plt -from RefinedMesh1D import create_refined_mesh +from src.RefinedMesh1D import create_refined_mesh def solve_System_Neq(phi_left:float, phi_right:float, p_right:float, z_alpha:list, y_R:list, K:float|str, Lambda2:float, a2:float, number_cells:int, solvation:float = 0, PoissonBoltzmann:bool=False, relax_param:float=None, x0:float=0, x1:float=1, refinement_style:str='uniform', return_type:str='Vector', rtol:float=1e-8, max_iter:float=500): ''' diff --git a/src/__pycache__/__init__.cpython-312.pyc b/src/__pycache__/__init__.cpython-312.pyc deleted file mode 100644 index d2f5ac1f4824a2dca52ac9b4a53ac113d872be71..0000000000000000000000000000000000000000 Binary files a/src/__pycache__/__init__.cpython-312.pyc and /dev/null differ diff --git a/tests/TestData/ElectrolyticDiode.npz b/tests/TestData/ElectrolyticDiode.npz index 29ef200e2c3712940b65e8018ef14038d63b8ecc..aac322b55cc2f145368f0330b18f48ac087e8f6d 100644 Binary files a/tests/TestData/ElectrolyticDiode.npz and b/tests/TestData/ElectrolyticDiode.npz differ diff --git a/tests/__pycache__/__init__.cpython-312.pyc b/tests/__pycache__/__init__.cpython-312.pyc deleted file mode 100644 index 9be625b0c80d7121534f4baa30da02f7eaec2d32..0000000000000000000000000000000000000000 Binary files a/tests/__pycache__/__init__.cpython-312.pyc and /dev/null differ diff --git a/tests/__pycache__/test_ElectrolyticDiode.cpython-312-pytest-8.3.3.pyc b/tests/__pycache__/test_ElectrolyticDiode.cpython-312-pytest-8.3.3.pyc deleted file mode 100644 index 4d85b98af0e8afe903a1c85849d6d560815aced0..0000000000000000000000000000000000000000 Binary files a/tests/__pycache__/test_ElectrolyticDiode.cpython-312-pytest-8.3.3.pyc and /dev/null differ diff --git a/tests/__pycache__/test_Eq02.cpython-312-pytest-8.3.3.pyc b/tests/__pycache__/test_Eq02.cpython-312-pytest-8.3.3.pyc deleted file mode 100644 index a837a99e736442f28841972b3a9dcaf7e2df4cb6..0000000000000000000000000000000000000000 Binary files a/tests/__pycache__/test_Eq02.cpython-312-pytest-8.3.3.pyc and /dev/null differ diff --git a/tests/__pycache__/test_Eq04.cpython-312-pytest-8.3.3.pyc b/tests/__pycache__/test_Eq04.cpython-312-pytest-8.3.3.pyc deleted file mode 100644 index 09265ddd089659d60c0b030f7d315acc4ed3899b..0000000000000000000000000000000000000000 Binary files a/tests/__pycache__/test_Eq04.cpython-312-pytest-8.3.3.pyc and /dev/null differ diff --git a/tests/__pycache__/test_EqN.cpython-312-pytest-8.3.3.pyc b/tests/__pycache__/test_EqN.cpython-312-pytest-8.3.3.pyc deleted file mode 100644 index 6826c1af53cd0f1739382c2f3ba0aec5675145a6..0000000000000000000000000000000000000000 Binary files a/tests/__pycache__/test_EqN.cpython-312-pytest-8.3.3.pyc and /dev/null differ diff --git a/tests/__pycache__/test_Helper_DoubleLayerCapacity.cpython-312-pytest-8.3.3.pyc b/tests/__pycache__/test_Helper_DoubleLayerCapacity.cpython-312-pytest-8.3.3.pyc deleted file mode 100644 index 109a7a873b2b538ea6e694f0006e8c569c1bab68..0000000000000000000000000000000000000000 Binary files a/tests/__pycache__/test_Helper_DoubleLayerCapacity.cpython-312-pytest-8.3.3.pyc and /dev/null differ diff --git a/tests/test_ElectrolyticDiode.py b/tests/test_ElectrolyticDiode.py index b8cc5cfb8477c509422d4d9d415486d10523a704..fb184cc6c8d3c37a64c495d5b613d6dc05c303f2 100644 --- a/tests/test_ElectrolyticDiode.py +++ b/tests/test_ElectrolyticDiode.py @@ -28,7 +28,7 @@ refinement_style = 'uniform' solvation = 5 PoissonBoltzmann = False rtol = 1e-3 -relax_param = 0.1 +relax_param = 0.08 max_iter = 1_000