pyvale 2025.4.0__py3-none-any.whl

pyvale/simcases/case25.i

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+#-------------------------------------------------------------------------
+# pyvale: gmsh,mechanical,transient
+#-------------------------------------------------------------------------
+
+#-------------------------------------------------------------------------
+#_* MOOSEHERDER VARIABLES - START
+
+endTime = 8
+timeStep = 1
+
+# Mechanical Loads/BCs
+topDispRate = ${fparse -3.0e-3 / endTime}  # m/s
+
+# Mechanical Props: SS316L @ 20degC
+ss316LEMod = 200e9       # Pa
+ss316LPRatio = 0.3      # -
+
+#** MOOSEHERDER VARIABLES - END
+#-------------------------------------------------------------------------
+
+[GlobalParams]
+    displacements = 'disp_x disp_y disp_z'
+[]
+
+[Mesh]
+    type = FileMesh
+    file = 'case25.msh'
+[]
+
+[Modules/TensorMechanics/Master]
+    [all]
+        strain = SMALL
+        incremental = true
+        add_variables = true
+        material_output_family = MONOMIAL   # MONOMIAL, LAGRANGE
+        material_output_order = SECOND       # CONSTANT, FIRST, SECOND,
+        generate_output = 'strain_xx strain_yy strain_zz strain_xy strain_yz strain_xz'
+    []
+[]
+
+[BCs]
+    [bottom_x]
+        type = DirichletBC
+        variable = disp_x
+        boundary = 'bc-base-disp'
+        value = 0.0
+    []
+    [bottom_y]
+        type = DirichletBC
+        variable = disp_y
+        boundary = 'bc-base-disp'
+        value = 0.0
+    []
+    [bottom_z]
+        type = DirichletBC
+        variable = disp_z
+        boundary = 'bc-base-disp'
+        value = 0.0
+    []
+
+
+    [top_x]
+        type = DirichletBC
+        variable = disp_x
+        boundary = 'bc-top-disp'
+        value = 0.0
+    []
+    [top_y]
+        type = FunctionDirichletBC
+        variable = disp_y
+        boundary = 'bc-top-disp'
+        function = '${topDispRate}*t'
+    []
+    [top_z]
+        type = DirichletBC
+        variable = disp_z
+        boundary = 'bc-top-disp'
+        value = 0.0
+    []
+[]
+
+[Materials]
+    [elasticity]
+        type = ComputeIsotropicElasticityTensor
+        youngs_modulus = ${ss316LEMod}
+        poissons_ratio = ${ss316LPRatio}
+    []
+    [stress]
+        type = ComputeFiniteStrainElasticStress
+    []
+[]
+
+[Preconditioning]
+    [SMP]
+        type = SMP
+        full = true
+    []
+[]
+
+[Executioner]
+    type = Transient
+    solve_type = 'NEWTON'
+    petsc_options_iname = '-pc_type -pc_hypre_type'
+    petsc_options_value = 'hypre boomeramg'
+    end_time= ${endTime}
+    dt = ${timeStep}
+[]
+
+
+[Postprocessors]
+    [react_y_bot]
+        type = SidesetReaction
+        direction = '0 1 0'
+        stress_tensor = stress
+        boundary = 'bc-base-disp'
+    []
+    [react_y_top]
+        type = SidesetReaction
+        direction = '0 1 0'
+        stress_tensor = stress
+        boundary = 'bc-top-disp'
+    []
+
+    [disp_y_max]
+        type = NodalExtremeValue
+        variable = disp_y
+    []
+    [disp_x_max]
+        type = NodalExtremeValue
+        variable = disp_x
+    []
+    [disp_z_max]
+        type = NodalExtremeValue
+        variable = disp_x
+    []
+[]
+
+[Outputs]
+    exodus = true
+[]

pyvale/simcases/case26.geo

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+//==============================================================================
+// Gmsh 3D parametric plate with hole mesh
+// author: Lloyd Fletcher (scepticalrabbit)
+//==============================================================================
+// Always set to OpenCASCADE - circles and boolean opts are much easier!
+SetFactory("OpenCASCADE");
+
+// Allows gmsh to print to terminal in vscode - easier debugging
+General.Terminal = 1;
+
+// View options - not required when
+Geometry.PointLabels = 0;
+Geometry.CurveLabels = 0;
+Geometry.SurfaceLabels = 1;
+Geometry.VolumeLabels = 0;
+
+//------------------------------------------------------------------------------
+// Variables
+file_name = "case26.msh";
+
+// Geometric variables
+plate_width = 100e-3;
+plate_height = plate_width+50e-3; // Must be greater than plate width
+plate_diff = plate_height-plate_width;
+plate_thick = 5e-3;
+
+hole_rad = 25e-3/2;
+hole_loc_x = plate_width/2;
+hole_loc_y = plate_height/2;
+hole_circ = 2*Pi*hole_rad;
+
+// Mesh variables
+elem_order = 1;
+
+plate_thick_layers = 1;
+hole_sect_nodes = 5; // Must be odd
+plate_rad_nodes = 5;
+plate_diff_nodes = 3; // numbers of nodes along the rectangular extension
+
+plate_edge_nodes = Floor((hole_sect_nodes-1)/2)+1;
+elem_size = hole_circ/(4*(hole_sect_nodes-1));
+
+tol = elem_size; // Used for bounding box selection tolerance
+tol_thick = plate_thick/(4*plate_thick_layers);
+
+//------------------------------------------------------------------------------
+// Geometry Definition
+
+// Split plate into eight pieces with a square around the hole to allow spider
+// web meshing around the hole
+s1 = news;
+Rectangle(s1) = {0.0,0.0,0.0,
+                plate_width/2,plate_diff/2};
+s2 = news;
+Rectangle(s2) = {plate_width/2,0.0,0.0,
+                plate_width/2,plate_diff/2};
+
+s3 = news;
+Rectangle(s3) = {0.0,plate_diff/2,0.0,
+                plate_width/2,plate_width/2};
+s4 = news;
+Rectangle(s4) = {plate_width/2,plate_diff/2,0.0,
+                plate_width/2,plate_width/2};
+
+s5 = news;
+Rectangle(s5) = {0.0,plate_width/2+plate_diff/2,0.0,
+                plate_width/2,plate_width/2};
+s6 = news;
+Rectangle(s6) = {plate_width/2,plate_width/2+plate_diff/2,0.0,
+                plate_width/2,plate_width/2};
+
+s7 = news;
+Rectangle(s7) = {0.0,plate_height-plate_diff/2,0.0,
+                plate_width/2,plate_diff/2};
+s8 = news;
+Rectangle(s8) = {plate_width/2,plate_height-plate_diff/2,0.0,
+                plate_width/2,plate_diff/2};
+
+// Merge coincicent edges of the four overlapping squares
+BooleanFragments{ Surface{s1}; Delete; }
+                { Surface{s2,s3,s4,s5,s6,s7,s8}; Delete; }
+
+// Create the hole surface
+c2 = newc; Circle(c2) = {hole_loc_x,hole_loc_y,0.0,hole_rad};
+cl2 = newcl; Curve Loop(cl2) = {c2};
+s9 = news; Plane Surface(s9) = {cl2};
+// Bore out the hole from the quarters of the plate
+BooleanDifference{ Surface{s3,s4,s5,s6}; Delete; }{ Surface{s9}; Delete; }
+
+//------------------------------------------------------------------------------
+// Transfinite meshing (line element sizes and mapped meshing)
+Transfinite Curve{31,24,26,28} = plate_rad_nodes;
+Transfinite Curve{1,5,3,7,23,29,30,34,14,17,19,22} = plate_edge_nodes;
+Transfinite Curve{32,33,25,27} = hole_sect_nodes;
+Transfinite Curve{4,2,6,20,18,21} = plate_diff_nodes;
+
+// NOTE: recombine surface turns default triangles into quads
+
+Transfinite Surface{s1} = {1,2,3,4};
+//Recombine Surface{s1};
+Transfinite Surface{s2} = {2,5,6,3};
+//Recombine Surface{s2};
+
+Transfinite Surface{s3} = {17,18,3,16};
+//Recombine Surface{s3};
+Transfinite Surface{s4} = {18,19,20,3};
+//Recombine Surface{s4};
+Transfinite Surface{s5} = {17,21,10,16};
+//Recombine Surface{s5};
+Transfinite Surface{s6} = {19,21,10,20};
+//Recombine Surface{s6};
+
+Transfinite Surface{s7} = {11,10,13,14};
+//Recombine Surface{s7};
+Transfinite Surface{s8} = {10,12,15,13};
+//Recombine Surface{s8};
+
+Extrude{0.0,0.0,plate_thick}{
+    Surface{:}; Layers{plate_thick_layers}; //Recombine;
+}
+
+//------------------------------------------------------------------------------
+// Physical lines and surfaces for export/BCs
+Physical Volume("plate-vol") = {Volume{:}};
+
+ps1() = Surface In BoundingBox{
+    0.0-tol,plate_height-tol,0.0-tol,
+    plate_width+tol,plate_height+tol,plate_thick+tol};
+Physical Surface("bc-top-disp") = {ps1(0),ps1(1)};
+
+ps2() = Surface In BoundingBox{
+    0.0-tol,0.0-tol,0.0-tol,
+    plate_width+tol,0.0+tol,plate_thick+tol};
+Physical Surface("bc-base-disp") = {ps2(0),ps2(1)};
+
+ps3() = Surface In BoundingBox{
+    0.0-tol,0.0-tol,plate_thick-tol_thick,
+    plate_width+tol,plate_height+tol,plate_thick+tol_thick};
+Physical Surface("plate-surf-vis-front") = {ps3(0),ps3(1),ps3(2),ps3(3),
+                                            ps3(4),ps3(5),ps3(6),ps3(7)};
+
+ps4() = Surface In BoundingBox{
+    0.0-tol,0.0-tol,0.0-tol_thick,
+    plate_width+tol,plate_height+tol,0.0+tol_thick};
+Physical Surface("plate-surf-vis-back") = {ps4(0),ps4(1),ps4(2),ps4(3),
+                                            ps4(4),ps4(5),ps4(6),ps4(7)};
+
+//------------------------------------------------------------------------------
+// Global meshing
+num_threads = 4;
+
+Mesh.Algorithm = 6;
+Mesh.Algorithm3D = 10;
+
+General.NumThreads = num_threads;
+Mesh.MaxNumThreads1D = num_threads;
+Mesh.MaxNumThreads2D = num_threads;
+Mesh.MaxNumThreads3D = num_threads;
+
+Mesh.ElementOrder = elem_order;
+Mesh 3;
+
+//------------------------------------------------------------------------------
+// Save and exit
+Save Str(file_name);
+Exit;

pyvale/simcases/case26.i

@@ -0,0 +1,140 @@
+#-------------------------------------------------------------------------
+# pyvale: gmsh,mechanical,transient
+#-------------------------------------------------------------------------
+
+#-------------------------------------------------------------------------
+#_* MOOSEHERDER VARIABLES - START
+
+endTime = 80
+timeStep = 1
+
+# Mechanical Loads/BCs
+topDispRate = ${fparse 1e-3 / endTime}  # m/s
+
+# Mechanical Props: SS316L @ 20degC
+ss316LEMod = 200e9       # Pa
+ss316LPRatio = 0.3      # -
+
+#** MOOSEHERDER VARIABLES - END
+#-------------------------------------------------------------------------
+
+[GlobalParams]
+    displacements = 'disp_x disp_y disp_z'
+[]
+
+[Mesh]
+    type = FileMesh
+    file = 'case26.msh'
+[]
+
+[Modules/TensorMechanics/Master]
+    [all]
+        strain = SMALL
+        incremental = true
+        add_variables = true
+        material_output_family = MONOMIAL   # MONOMIAL, LAGRANGE
+        material_output_order = SECOND       # CONSTANT, FIRST, SECOND,
+        generate_output = 'strain_xx strain_yy strain_zz strain_xy strain_yz strain_xz'
+    []
+[]
+
+[BCs]
+    [bottom_x]
+        type = DirichletBC
+        variable = disp_x
+        boundary = 'bc-base-disp'
+        value = 0.0
+    []
+    [bottom_y]
+        type = DirichletBC
+        variable = disp_y
+        boundary = 'bc-base-disp'
+        value = 0.0
+    []
+    [bottom_z]
+        type = DirichletBC
+        variable = disp_z
+        boundary = 'bc-base-disp'
+        value = 0.0
+    []
+
+
+    [top_x]
+        type = DirichletBC
+        variable = disp_x
+        boundary = 'bc-top-disp'
+        value = 0.0
+    []
+    [top_y]
+        type = FunctionDirichletBC
+        variable = disp_y
+        boundary = 'bc-top-disp'
+        function = '${topDispRate}*t'
+    []
+    [top_z]
+        type = DirichletBC
+        variable = disp_z
+        boundary = 'bc-top-disp'
+        value = 0.0
+    []
+[]
+
+[Materials]
+    [elasticity]
+        type = ComputeIsotropicElasticityTensor
+        youngs_modulus = ${ss316LEMod}
+        poissons_ratio = ${ss316LPRatio}
+    []
+    [stress]
+        type = ComputeFiniteStrainElasticStress
+    []
+[]
+
+[Preconditioning]
+    [SMP]
+        type = SMP
+        full = true
+    []
+[]
+
+[Executioner]
+    type = Transient
+    solve_type = 'NEWTON'
+    petsc_options_iname = '-pc_type -pc_hypre_type'
+    petsc_options_value = 'hypre boomeramg'
+    end_time= ${endTime}
+    dt = ${timeStep}
+[]
+
+
+[Postprocessors]
+    [react_y_bot]
+        type = SidesetReaction
+        direction = '0 1 0'
+        stress_tensor = stress
+        boundary = 'bc-base-disp'
+    []
+    [react_y_top]
+        type = SidesetReaction
+        direction = '0 1 0'
+        stress_tensor = stress
+        boundary = 'bc-top-disp'
+    []
+
+    [disp_y_max]
+        type = NodalExtremeValue
+        variable = disp_y
+    []
+    [disp_x_max]
+        type = NodalExtremeValue
+        variable = disp_x
+    []
+    [disp_z_max]
+        type = NodalExtremeValue
+        variable = disp_x
+    []
+[]
+
+[Outputs]
+    exodus = true
+[]

pyvale/simcases/run_1case.py

@@ -0,0 +1,61 @@
+'''
+================================================================================
+pyvale: the python computer aided validation engine
+
+License: MIT
+Copyright (C) 2025 The Computer Aided Validation Team
+================================================================================
+'''
+import time
+from pathlib import Path
+from importlib.resources import files
+from mooseherder import (MooseConfig,
+                         MooseRunner,
+                         GmshRunner)
+
+#===============================================================================
+# Change this to run a different case
+CASE_STR = 'case16'
+#===============================================================================
+
+CASE_FILES = (CASE_STR+'.geo',CASE_STR+'.i')
+CASE_DIR = Path(files("pyvale.simcases").joinpath(CASE_FILES[1])).parent
+
+USER_DIR = Path.home()
+
+def main() -> None:
+    gmsh_run_time = 0.0
+    if (CASE_DIR / CASE_FILES[0]).is_file():
+        gmsh_runner = GmshRunner(USER_DIR / 'gmsh/bin/gmsh')
+
+        gmsh_start = time.perf_counter()
+        gmsh_runner.run(CASE_DIR / CASE_FILES[0],parse_only=False)
+        gmsh_run_time = time.perf_counter()-gmsh_start
+
+    config = {'main_path': USER_DIR / 'moose',
+              'app_path': USER_DIR / 'proteus',
+              'app_name': 'proteus-opt'}
+
+    print(config['main_path'])
+
+    moose_config = MooseConfig(config)
+    moose_runner = MooseRunner(moose_config)
+
+    moose_runner.set_run_opts(n_tasks = 1,
+                              n_threads = 8,
+                              redirect_out = False)
+
+    moose_start_time = time.perf_counter()
+    moose_runner.run(CASE_DIR / CASE_FILES[1])
+    moose_run_time = time.perf_counter() - moose_start_time
+
+    print()
+    print("="*80)
+    print(f'Gmsh run time = {gmsh_run_time:.2f} seconds')
+    print(f'MOOSE run time = {moose_run_time:.3f} seconds')
+    print("="*80)
+    print()
+
+if __name__ == '__main__':
+    main()
+

pyvale/simcases/run_all_cases.py

@@ -0,0 +1,69 @@
+'''
+================================================================================
+pyvale: the python computer aided validation engine
+
+License: MIT
+Copyright (C) 2025 The Computer Aided Validation Team
+================================================================================
+'''
+import time
+from pathlib import Path
+from mooseherder import (MooseConfig,
+                         MooseRunner,
+                         GmshRunner)
+
+
+NUM_CASES = 23
+USER_DIR = Path.home()
+FORCE_GMSH = False
+CASES_DIR = Path('src/simcases/')
+
+def run_one_case(case_str: str) -> None:
+    print(80*'=')
+    print(f'Running: {case_str}')
+    print(80*'=')
+
+    case_files = (case_str+'.geo',case_str+'.i')
+    case_dir =  CASES_DIR / case_str
+
+    gmsh_run_time = 0.0
+    if (case_dir / case_files[0]).is_file():
+        gmsh_runner = GmshRunner(USER_DIR / 'gmsh/bin/gmsh')
+
+        gmsh_start = time.perf_counter()
+        gmsh_runner.run(case_dir / case_files[0])
+        gmsh_run_time = time.perf_counter()-gmsh_start
+
+    config = {'main_path': USER_DIR / 'moose',
+            'app_path': USER_DIR / 'proteus',
+            'app_name': 'proteus-opt'}
+
+    moose_config = MooseConfig(config)
+    moose_runner = MooseRunner(moose_config)
+
+    moose_runner.set_run_opts(n_tasks = 1,
+                              n_threads = 8,
+                              redirect_out = False)
+
+    moose_start_time = time.perf_counter()
+    moose_runner.run(case_dir / case_files[1])
+    moose_run_time = time.perf_counter() - moose_start_time
+
+    print()
+    print("="*80)
+    print(f'CASE: {case_str}')
+    print(f'Gmsh run time = {gmsh_run_time:.2f} seconds')
+    print(f'MOOSE run time = {moose_run_time:.3f} seconds')
+    print("="*80)
+    print()
+
+
+def main() -> None:
+    for ss in range(NUM_CASES):
+        case_str = 'case' + str(ss+1).zfill(2)
+        run_one_case(case_str)
+
+
+if __name__ == '__main__':
+    main()
+

pyvale/simcases/run_build_case.py

@@ -0,0 +1,64 @@
+'''
+================================================================================
+pyvale: the python computer aided validation engine
+
+License: MIT
+Copyright (C) 2025 The Computer Aided Validation Team
+================================================================================
+'''
+import time
+from pathlib import Path
+from importlib.resources import files
+from mooseherder import (MooseConfig,
+                         MooseRunner,
+                         GmshRunner)
+
+#===============================================================================
+# Change this to run a different case
+CASE_STR = 'case24'
+#===============================================================================
+
+CASE_FILES = (CASE_STR+'.geo',CASE_STR+'.i')
+CASE_DIR = Path(files("pyvale.simcases").joinpath(CASE_FILES[1])).parent
+
+USER_DIR = Path.home()
+
+FORCE_GMSH = True
+
+def main() -> None:
+    gmsh_run_time = 0.0
+    if (CASE_DIR / CASE_FILES[0]).is_file():
+        gmsh_runner = GmshRunner(USER_DIR / 'gmsh/bin/gmsh')
+
+        gmsh_start = time.perf_counter()
+        gmsh_runner.run(CASE_DIR / CASE_FILES[0],parse_only=False)
+        gmsh_run_time = time.perf_counter()-gmsh_start
+
+
+    config = {'main_path': USER_DIR / 'moose',
+            'app_path': USER_DIR / 'proteus',
+            'app_name': 'proteus-opt'}
+
+    print(config['main_path'])
+
+    moose_config = MooseConfig(config)
+    moose_runner = MooseRunner(moose_config)
+
+    moose_runner.set_run_opts(n_tasks = 1,
+                              n_threads = 8,
+                              redirect_out = False)
+
+    moose_start_time = time.perf_counter()
+    moose_runner.run(CASE_DIR / CASE_FILES[1])
+    moose_run_time = time.perf_counter() - moose_start_time
+
+    print()
+    print("="*80)
+    print(f'Gmsh run time = {gmsh_run_time:.2f} seconds')
+    print(f'MOOSE run time = {moose_run_time:.3f} seconds')
+    print("="*80)
+    print()
+
+if __name__ == '__main__':
+    main()
+

pyvale/simcases/run_example_cases.py

@@ -0,0 +1,69 @@
+'''
+================================================================================
+pyvale: the python computer aided validation engine
+
+License: MIT
+Copyright (C) 2025 The Computer Aided Validation Team
+================================================================================
+'''
+import time
+from pathlib import Path
+from mooseherder import (MooseConfig,
+                         MooseRunner,
+                         GmshRunner)
+
+
+EXAMPLE_CASES = [13,16,17]
+USER_DIR = Path.home()
+FORCE_GMSH = False
+CASES_DIR = Path('src/simcases/')
+
+def run_one_case(case_str: str) -> None:
+    print(80*'=')
+    print(f'Running: {case_str}')
+    print(80*'=')
+
+    case_files = (case_str+'.geo',case_str+'.i')
+    case_dir =  CASES_DIR / case_str
+
+    gmsh_run_time = 0.0
+    if (case_dir / case_files[0]).is_file():
+        gmsh_runner = GmshRunner(USER_DIR / 'gmsh/bin/gmsh')
+
+        gmsh_start = time.perf_counter()
+        gmsh_runner.run(case_dir / case_files[0])
+        gmsh_run_time = time.perf_counter()-gmsh_start
+
+    config = {'main_path': USER_DIR / 'moose',
+            'app_path': USER_DIR / 'proteus',
+            'app_name': 'proteus-opt'}
+
+    moose_config = MooseConfig(config)
+    moose_runner = MooseRunner(moose_config)
+
+    moose_runner.set_run_opts(n_tasks = 1,
+                              n_threads = 8,
+                              redirect_out = False)
+
+    moose_start_time = time.perf_counter()
+    moose_runner.run(case_dir / case_files[1])
+    moose_run_time = time.perf_counter() - moose_start_time
+
+    print()
+    print("="*80)
+    print(f'CASE: {case_str}')
+    print(f'Gmsh run time = {gmsh_run_time:.2f} seconds')
+    print(f'MOOSE run time = {moose_run_time:.3f} seconds')
+    print("="*80)
+    print()
+
+
+def main() -> None:
+    for ss in EXAMPLE_CASES:
+        case_str = 'case' + str(ss).zfill(2)
+        run_one_case(case_str)
+
+
+if __name__ == '__main__':
+    main()
+