Merge branch 'main' into hotfix/2.1.1

.pre-commit-config.yaml

@@ -6,7 +6,7 @@ repos:
       - id: pyroma
 
   - repo: https://github.com/psf/black
-    rev: 24.1.1
+    rev: 24.2.0
     hooks:
       - id: black
 

.zenodo.json

@@ -1,8 +1,8 @@
 {
     "description": "<p>cashocs is a computational, adjoint-based shape optimization and optimal control software.</p>", 
     "license": "GPL-3.0+", 
-    "title": "cashocs v2.1.1",
-    "version": "v2.1.1",
+    "title": "cashocs v2.2.0-dev",
+    "version": "v2.2.0-dev",
     "upload_type": "software", 
     "creators": [
         {

CHANGELOG.rst

@@ -7,6 +7,12 @@ of the maintenance releases, please take a look at
 `<https://github.com/sblauth/cashocs/releases>`_.
 
 
+2.2.0 (in development)
+----------------------
+
+* Increase the precision of the Gmsh output from cashocs
+
+
 2.1.0 (February 6, 2024)
 ------------------------
 

cashocs/__init__.py

@@ -59,7 +59,8 @@
 from cashocs.nonlinear_solvers import newton_solve
 from cashocs.nonlinear_solvers import picard_iteration
 
-__version__ = "2.1.1"
+
+__version__ = "2.2.0-dev"
 
 __citation__ = """
 @Article{Blauth2021cashocs,

cashocs/_optimization/line_search/armijo_line_search.py

@@ -199,5 +199,6 @@ def _compute_objective_at_new_iterate(self, current_function_value: float) -> fl
                 raise error
             else:
                 objective_step = 2.0 * abs(current_function_value)
+                self.state_problem.revert_to_checkpoint()
 
         return objective_step

cashocs/_pde_problems/state_problem.py

@@ -73,6 +73,7 @@ def __init__(
 
         self.bcs_list: List[List[fenics.DirichletBC]] = self.state_form_handler.bcs_list
         self.states = self.db.function_db.states
+        self.states_checkpoint = [fun.copy(True) for fun in self.states]
 
         self.picard_rtol = self.config.getfloat("StateSystem", "picard_rtol")
         self.picard_atol = self.config.getfloat("StateSystem", "picard_atol")
@@ -127,6 +128,7 @@ def solve(self) -> List[fenics.Function]:
         """
         if not self.has_solution:
             self.db.callback.call_pre()
+            self._generate_checkpoint()
             if (
                 not self.config.getboolean("StateSystem", "picard_iteration")
                 or self.db.parameter_db.state_dim == 1
@@ -198,3 +200,25 @@ def solve(self) -> List[fenics.Function]:
             self._update_cost_functionals()
 
         return self.states
+
+    def _generate_checkpoint(self) -> None:
+        """Generates a checkpoint of the state variables."""
+        for i in range(len(self.states)):
+            self.states_checkpoint[i].vector().vec().aypx(
+                0.0, self.states[i].vector().vec()
+            )
+            self.states_checkpoint[i].vector().apply("")
+
+    def revert_to_checkpoint(self) -> None:
+        """Reverts the state variables to a checkpointed value.
+
+        This is useful when the solution of the state problem fails and another attempt
+        is made to solve it. Then, the perturbed solution of Newton's method should not
+        be the initial guess.
+
+        """
+        for i in range(len(self.states)):
+            self.states[i].vector().vec().aypx(
+                0.0, self.states_checkpoint[i].vector().vec()
+            )
+            self.states[i].vector().apply("")

cashocs/io/managers.py

@@ -585,8 +585,16 @@ def _write_xdmf_step(
         mesh = function.function_space().mesh()
         comm = mesh.mpi_comm()
 
-        if function.function_space().ufl_element().family() == "Real":
-            space = fenics.FunctionSpace(mesh, "CG", 1)
+        if function.function_space().ufl_element().family() in [
+            "Real",
+            "NodalEnrichedElement",
+        ]:
+            if len(function.ufl_shape) > 0:
+                space = fenics.VectorFunctionSpace(
+                    mesh, "CG", 1, dim=function.ufl_shape[0]
+                )
+            else:
+                space = fenics.FunctionSpace(mesh, "CG", 1)
             function = fenics.interpolate(function, space)
 
         function.rename(function_name, function_name)

cashocs/io/mesh.py

@@ -355,14 +355,14 @@ def create_point_representation(
     mod_line = ""
     if dim == 2:
         mod_line = (
-            f"{points[idcs[subwrite_counter]][0]:.16f} "
-            f"{points[idcs[subwrite_counter]][1]:.16f} 0\n"
+            f"{points[idcs[subwrite_counter]][0]:.16e} "
+            f"{points[idcs[subwrite_counter]][1]:.16e} 0\n"
         )
     elif dim == 3:
         mod_line = (
-            f"{points[idcs[subwrite_counter]][0]:.16f} "
-            f"{points[idcs[subwrite_counter]][1]:.16f} "
-            f"{points[idcs[subwrite_counter]][2]:.16f}\n"
+            f"{points[idcs[subwrite_counter]][0]:.16e} "
+            f"{points[idcs[subwrite_counter]][1]:.16e} "
+            f"{points[idcs[subwrite_counter]][2]:.16e}\n"
         )
 
     return mod_line

docs/source/conf.py

@@ -28,7 +28,7 @@
 author = "Sebastian Blauth"
 
 # The full version, including alpha/beta/rc tags
-release = "2.1.1"
+release = "2.2.0-dev"
 
 
 # -- General configuration ---------------------------------------------------

pyproject.toml

@@ -7,7 +7,7 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "cashocs"
-version = "2.1.1"
+version = "2.2.0-dev"
 description = "Computational Adjoint-Based Shape Optimization and Optimal Control Software"
 readme = "README.rst"
 requires-python = ">=3.8"