Switch to parry2d

.github/workflows/rustbca_compile_check.yml

@@ -59,12 +59,12 @@ jobs:
         cargo run --release 0D examples/boron_nitride_0D.toml
         ./target/release/RustBCA 0D examples/titanium_dioxide_0D.toml
         ./target/release/RustBCA 1D examples/layered_geometry_1D.toml
-        cat 2000.0eV_0.0001deg_He_TiO2_Al_Sisummary.output
+        echo "layered geometry 1D:"; cat 2000.0eV_0.0001deg_He_TiO2_Al_Sisummary.output
         ./target/release/RustBCA examples/layered_geometry.toml
-        cat 2000.0eV_0.0001deg_He_TiO2_Al_Sisummary.output
+        echo "layered geometry 2D:"; cat 2000.0eV_0.0001deg_He_TiO2_Al_Sisummary.output
         ./target/release/RustBCA SPHERE examples/boron_nitride_sphere.toml
         cargo run --release --features parry3d TRIMESH examples/tungsten_twist_trimesh.toml
         ./target/release/RustBCA examples/boron_nitride_wire.toml
-        cat boron_nitride_summary.output
+        echo "boron nitride 2D:"; cat boron_nitride_summary.output
         ./target/release/RustBCA HOMOGENEOUS2D examples/boron_nitride_wire_homogeneous.toml
-        cat boron_nitride_h_summary.output
+        echo "boron nitride 2D Homogeneous:"; cat boron_nitride_h_summary.output

Cargo.toml

@@ -5,6 +5,8 @@ default-run = "RustBCA"
 authors = ["Jon Drobny <drobny2@illinois.edu>", "Jon Drobny <jdrobny@tae.com>"]
 edition = "2021"
 
+
+
 [[bin]]
 name = "RustBCA"
 path = "src/main.rs"
@@ -21,13 +23,13 @@ toml = "0.7.4"
 anyhow = "1.0.71"
 itertools = "0.10.5"
 rayon = "1.7.0"
-geo = {version = "0.25", optional = false}
 indicatif = {version = "0.15.0", features=["rayon"]}
 serde = { version = "1.0.163", features = ["derive"] }
 hdf5 = {version = "0.7.1", optional = true}
 rcpr = { git = "https://github.com/drobnyjt/rcpr", optional = true}
 ndarray = {version = "0.14.0", features = ["serde"], optional = true}
 parry3d-f64 = {optional = true, version="0.2.0"}
+parry2d-f64 = {optional = false, version="*"}
 
 [dependencies.pyo3]
 version = "0.19.0"
@@ -41,7 +43,7 @@ float-cmp = "0.8.0"
 lto = "fat"
 codegen-units = 1
 opt-level = 3
-debug = false
+debug = 1
 
 [features]
 hdf5_input = ["hdf5"]

examples/layered_geometry.toml

@@ -1,7 +1,7 @@
 #Use with 2D geometry option only
 [options]
 name = "2000.0eV_0.0001deg_He_TiO2_Al_Si"
-track_trajectories = false
+track_trajectories = true
 track_recoils = true
 track_recoil_trajectories = false
 write_buffer_size = 8000
@@ -54,7 +54,8 @@ points = [[0.0, -0.5], [0.01, -0.5], [0.04, -0.5], [0.5, -0.5], [0.5, 0.5], [0.0
 triangles = [[0, 1, 6], [0, 6, 7], [1, 2, 5], [1, 5, 6], [2, 3, 4], [2, 4, 5]]
 densities = [ [ 3.0e+10, 6.0e+10, 0.0, 0.0,], [ 3.0e+10, 6.0e+10, 0.0, 0.0,], [ 0.0, 0.0, 6.026e+10, 0.0,], [ 0.0, 0.0, 6.026e+10, 0.0,], [ 0.0, 0.0, 0.0, 4.996e+10,], [ 0.0, 0.0, 0.0, 4.996e+10,],]
 boundary = [0, 3, 4, 7]
-simulation_boundary_points = [ [ 0.6, -0.6,], [ -0.1, -0.6,], [ -0.1, 0.6,], [ 0.6, 0.6,], [ 0.6, -0.6,],]
+#simulation_boundary_points = [ [ 0.6, -0.6,], [ -0.1, -0.6,], [ -0.1, 0.6,], [ 0.6, 0.6,],]
+simulation_boundary_points = [[0.6, 0.6], [-0.1, 0.6], [-0.1, -0.6], [0.6, -0.6]]
 electronic_stopping_correction_factors = [1.0, 1.0, 1.0, 1.0, 1.0, 1.0]
 energy_barrier_thickness = 2.2E-4
 

examples/multiple_interaction_potentials.toml

@@ -48,7 +48,7 @@ length_unit = "MICRON"
 triangles = [ [ 0.0, 0.01, 0.0, 0.5, 0.5, -0.5,], [ 0.0, 0.01, 0.01, -0.5, 0.5, -0.5,], [ 0.01, 0.01, 0.04, -0.5, 0.5, -0.5,], [ 0.01, 0.04, 0.04, 0.5, 0.5, -0.5,], [ 0.04, 0.5, 0.04, 0.5, 0.5, -0.5,], [ 0.04, 0.5, 0.5, -0.5, 0.5, -0.5,],]
 densities = [ [ 3.0e+10, 6.0e+10, 0.0, 0.0,], [ 3.0e+10, 6.0e+10, 0.0, 0.0,], [ 0.0, 0.0, 6.026e+10, 0.0,], [ 0.0, 0.0, 6.026e+10, 0.0,], [ 0.0, 0.0, 0.0, 4.996e+10,], [ 0.0, 0.0, 0.0, 4.996e+10,],]
 material_boundary_points = [ [ 0.0, 0.5,], [ 0.5, 0.5,], [ 0.5, -0.5,], [ 0.0, -0.5,],]
-simulation_boundary_points = [ [ 0.6, -0.6,], [ -0.1, -0.6,], [ -0.1, 0.6,], [ 0.6, 0.6,], [ 0.6, -0.6,],]
+simulation_boundary_points = [ [ 0.6, -0.6,], [ -0.1, -0.6,], [ -0.1, 0.6,], [ 0.6, 0.6,],]
 electronic_stopping_correction_factors = [1.0, 1.0, 1.0, 1.0, 1.0, 1.0]
 
 [material_parameters]

src/enums.rs

@@ -3,13 +3,13 @@ use super::*;
 pub enum MaterialType {
     MESH0D(material::Material<geometry::Mesh0D>),
     MESH1D(material::Material<geometry::Mesh1D>),
-    MESH2D(material::Material<geometry::Mesh2D>),
+    MESH2D(material::Material<geometry::ParryMesh2D>),
     SPHERE(material::Material<sphere::Sphere>),
     #[cfg(feature = "parry3d")]
     BALL(material::Material<parry::ParryBall>),
     #[cfg(feature = "parry3d")]
     TRIMESH(material::Material<parry::ParryTriMesh>),
-    HOMOGENEOUS2D(material::Material<geometry::HomogeneousMesh2D>)
+    HOMOGENEOUS2D(material::Material<geometry::ParryHomogeneousMesh2D>)
 }
 
 #[derive(Deserialize, PartialEq, Clone, Copy)]