Merge pull request #73 from ManuelLerchner/67-sheet-4-task-3-simulati…

…on-of-a-falling-drop-liquid

Simulation of a falling drop liquid

.github/workflows/clang-format.yml

@@ -32,27 +32,9 @@ jobs:
           cmake ..
           make clangformat
 
-      - name: Quit if there are no changes
+      - name: Quit if there are no changes else exit with error
         run: |
           if [[ -z $(git status -s) ]]; then
             echo "No changes to the formatting."
             exit 0
-          fi
-
-      - name: Check if there are any changes
-        id: verify_diff
-        run: |
-          git diff --quiet . || echo "changed=true" >> $GITHUB_OUTPUT
-
-      - name: Commit changes
-        if: steps.verify_diff.outputs.changed == 'true'
-        run: |
-          git config --local user.email "github-actions[bot]@users.noreply.github.com"
-          git config --local user.name "github-actions[bot]"
-          git commit -am "Apply clang-format"
-
-      - name: Push changes
-        if: steps.verify_diff.outputs.changed == 'true'
-        uses: ad-m/github-push-action@master
-        with:
-          github_token: ${{ secrets.GITHUB_TOKEN }}
+          fi && exit 1

Doxyfile

@@ -619,8 +619,9 @@ EXCLUDE_SYMLINKS       = NO
 # against the file with absolute path, so to exclude all test directories
 # for example use the pattern */test/*
 
-EXCLUDE_PATTERNS       = *vtk-unstructured.* \
-                         *simulation_schema.* \
+EXCLUDE_PATTERNS       = *vtu_file_schema.* \
+                         *simulation_input_schema.* \
+                         *checkpoint_schema.*
 
 # The EXCLUDE_SYMBOLS tag can be used to specify one or more symbol names
 # (namespaces, classes, functions, etc.) that should be excluded from the

docs/InputFileFormats.md

@@ -80,7 +80,7 @@ An example file could look like this:
 
 ### .xml
 
-The `.xml` file format can be used to specify all the input parameters for the simulation at once. Therefore it is preferred over the other file formats.
+The `.xml` file format can be used to specify all the input parameters for the simulation at once. Therefore, it is preferred over the other file formats.
 
 Its definition is based on the [simulation_schema.xsd](simulation_schema.xsd) file, which is used to validate the input file. The file contains a single root element `<configuration>` with the following child elements:
 

docs/ParticleContainers.md

@@ -3,7 +3,7 @@
 
 ## Overview
 
-Currently there exist two different particle container implementations:
+Currently, there exist two different particle container implementations:
 
 - DirectSumContainer: A naive implementation, which calculates the forces between all particles
 - LinkedCellsContainer: A more efficient implementation, which uses the linked cells algorithm to calculate the forces between particles
@@ -26,7 +26,7 @@ The following graphs show the runtime of the two implementations for different n
 
 It is interesting to note, that it can be seen quite clearly, that the runtime of the DirectSumContainer increases quadratically with the number of particles, while the runtime of the LinkedCellsContainer increases linearly.
 
-Additionally the benchmark was about twice as fast on an Intel Core i5-12600 CPU than on an AMD Ryzen 5 3600 CPU.
+Additionally, the benchmark was about twice as fast on an Intel Core i5-12600 CPU than on an AMD Ryzen 5 3600 CPU.
 
 ### AMD Ryzen 5 3600
 

input/body_collision.cub → input/body_collision/body_collision_assignment2.cub

@@ -1,7 +1,7 @@
 # Cube 1
 0.0 0.0 0.0         # lower left
 40 8 1              # grid dimensions
-1.1225             # grid spacing
+1.1225              # grid spacing
 1.0                 # mass
 0.0 0.0 0.0         # velocity
 0.1                 # initial temperature (using brownian motion)

input/body_collision_assignment3.xml → input/body_collision/body_collision_assignment3.xml

@@ -1,7 +1,7 @@
 <?xml version="1.0"?>
 <!-- just a sanity check: body collision rewritten to xml -->
 <configuration xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
-    xsi:noNamespaceSchemaLocation="simulation_schema.xsd">
+    xsi:noNamespaceSchemaLocation="../simulation_schema.xsd">
 
     <settings>
         <fps>24</fps>
@@ -18,35 +18,25 @@
                 </domain_size>
                 <cutoff_radius>3.0</cutoff_radius>
                 <boundary_conditions>
-                    <left>
-                        <outflow />
-                    </left>
-                    <right>
-                        <outflow />
-                    </right>
-                    <bottom>
-                        <outflow />
-                    </bottom>
-                    <top>
-                        <outflow />
-                    </top>
-                    <back>
-                        <outflow />
-                    </back>
-                    <front>
-                        <outflow />
-                    </front>
+                    <left>Outflow</left>
+                    <right>Outflow</right>
+                    <bottom>Outflow</bottom>
+                    <top>Outflow</top>
+                    <back>Outflow</back>
+                    <front>Outflow</front>
                 </boundary_conditions>
             </linkedcells_container>
         </particle_container>
+        <force>LennardJones</force>
         <thermostat>
             <target_temperature>0</target_temperature>
             <max_temperature_change>0</max_temperature_change>
             <application_interval>10000000</application_interval>
         </thermostat>
     </settings>
 
-    <particles>
+
+    <particle_source>
         <cuboid_spawner>
             <lower_left_front_corner>
                 <x>20.0</x>
@@ -91,6 +81,6 @@
             <type>1</type>
         </cuboid_spawner>
 
-    </particles>
+    </particle_source>
 
 </configuration>

input/equilibration/multiple_recursive_levels.xml

@@ -0,0 +1,58 @@
+<?xml version="1.0"?>
+<configuration xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+    xsi:noNamespaceSchemaLocation="../simulation_schema.xsd">
+
+    <settings>
+        <fps>24</fps>
+        <video_length>30</video_length>
+        <delta_t>0.005</delta_t>
+        <end_time>10.0</end_time>
+        <third_dimension>false</third_dimension>
+        <particle_container>
+            <linkedcells_container>
+                <domain_size>
+                    <x>100</x>
+                    <y>100</y>
+                    <z>10</z>
+                </domain_size>
+                <cutoff_radius>3.0</cutoff_radius>
+                <boundary_conditions>
+                    <left>Reflective</left>
+                    <right>Reflective</right>
+                    <bottom>Reflective</bottom>
+                    <top>Reflective</top>
+                    <back>Reflective</back>
+                    <front>Reflective</front>
+                </boundary_conditions>
+            </linkedcells_container>
+        </particle_container>
+        <force>LennardJones</force>
+        <thermostat>
+            <target_temperature>0</target_temperature>
+            <max_temperature_change>0</max_temperature_change>
+            <application_interval>10000000</application_interval>
+        </thermostat>
+    </settings>
+
+    <particle_source>
+        <sub_simulation>
+            <name>
+            Top Left
+        </name>
+            <file_name>
+                ./subsimulations/top_left.xml
+            </file_name>
+        </sub_simulation>
+
+        <sub_simulation>
+            <name>
+            Bottom Left
+        </name>
+            <file_name>
+                ./subsimulations/bottom_left.xml
+            </file_name>
+        </sub_simulation>
+
+    </particle_source>
+
+</configuration>

input/equilibration/subsimulations/bottom_left.xml

@@ -0,0 +1,57 @@
+<?xml version="1.0"?>
+<configuration xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+    xsi:noNamespaceSchemaLocation="../../simulation_schema.xsd">
+
+    <settings>
+        <fps>24</fps>
+        <video_length>30</video_length>
+        <delta_t>0.005</delta_t>
+        <end_time>1.0</end_time>
+        <third_dimension>false</third_dimension>
+        <particle_container>
+            <linkedcells_container>
+                <domain_size>
+                    <x>100</x>
+                    <y>100</y>
+                    <z>10</z>
+                </domain_size>
+                <cutoff_radius>3.0</cutoff_radius>
+                <boundary_conditions>
+                    <left>Reflective</left>
+                    <right>Reflective</right>
+                    <bottom>Reflective</bottom>
+                    <top>Reflective</top>
+                    <back>Reflective</back>
+                    <front>Reflective</front>
+                </boundary_conditions>
+            </linkedcells_container>
+        </particle_container>
+        <force>LennardJones</force>
+        <thermostat>
+            <target_temperature>0</target_temperature>
+            <max_temperature_change>0</max_temperature_change>
+            <application_interval>10000000</application_interval>
+        </thermostat>
+    </settings>
+
+    <particle_source>
+        <sphere_spawner>
+            <center>
+                <x>20.0</x>
+                <y>20.0</y>
+                <z>5</z>
+            </center>
+            <radius>5</radius>
+            <grid_spacing>1.1225</grid_spacing>
+            <temperature>0.1</temperature>
+            <mass>1.0</mass>
+            <velocity>
+                <x>0.0</x>
+                <y>0.0</y>
+                <z>0.0</z>
+            </velocity>
+            <type>0</type>
+        </sphere_spawner>
+    </particle_source>
+
+</configuration>