├── .github ├── ISSUE_TEMPLATE │ ├── benchmark_request.md │ ├── bug_report.md │ ├── feature_request.md │ └── question.md ├── PULL_REQUEST_TEMPLATE.md └── workflows │ ├── readme_doctests.yml │ └── rustbca_compile_check.yml ├── Cargo.toml ├── LICENSE ├── MANIFEST.in ├── README.md ├── RustBCA.h ├── cbindgen.toml ├── docs ├── binary_collision_approximation │ ├── PMI_4.png │ ├── elstop.png │ ├── global_angles.png │ ├── local_angles.png │ ├── scattering.png │ └── scattering_lab.png ├── boron_nitride │ ├── H_B_N.png │ └── input.toml ├── h_b_1kev │ ├── 10kev.png │ ├── H_on_B_1keV.toml │ ├── H_on_B_1keVall_depth_distributions.png │ ├── H_on_B_1keVdep.png │ ├── H_on_B_1keVdisplacements.png │ ├── H_on_B_1keVdisplacements2D.png │ ├── H_on_B_1keVelectronic_energy_loss.png │ ├── H_on_B_1keVenergy_loss.png │ ├── H_on_B_1keVnuclear_energy_loss.png │ ├── H_on_B_1keVpolar_scatter.png │ ├── H_on_B_1keVref_ang.png │ ├── H_on_B_1keVref_e.png │ ├── H_on_B_1keVrustbca_r_ead.png │ ├── H_on_B_1keVrustbca_s_ead.png │ ├── H_on_B_1keVspt_ang.png │ ├── H_on_B_1keVspt_e.png │ └── H_on_B_1keVspt_o.png ├── h_he │ ├── angle656.png │ ├── doca656.png │ ├── hydrogen_helium.png │ └── input_layers.toml ├── he_ti_o2_al_si │ ├── 2000.0eV_0.0001deg_He_Tidep.png │ ├── 2000.0eV_0.0001deg_He_Tiref_ang.png │ ├── 2000.0eV_0.0001deg_He_Tispt_ang.png │ ├── input.toml │ └── trajectories.png ├── home │ ├── B4c.png │ ├── error_message.png │ ├── he_ti.png │ ├── reflection.png │ └── sputtering.png ├── input │ ├── bulk_binding.png │ ├── mesh.png │ └── surface_binding.png ├── interactions │ ├── klf_2020-09-20_17-28_P50748.600.png │ ├── klf_2020-09-20_17-31_e50748.600.png │ ├── klf_2020-09-20_17-42_i50748.600.png │ ├── klf_2020-09-20_18-31_l50748.600.png │ ├── klf_2020-09-21_10-01_hxagBa.600.png │ ├── klf_2020-09-21_10-02_Eivwmh.600.png │ ├── klf_2020-09-21_10-02_GeOaam.600.png │ ├── klf_2020-09-21_10-13_mndJZo.600.png │ └── klf_2020-09-21_10-15_yASYjJ.600.png ├── lithium_vapor_shield │ ├── gas_and_liquid.png │ ├── lithium_vapor_shield_deposited2d.png │ ├── lithium_vapor_shield_electronic_energy_loss.png │ ├── lithium_vapor_shield_energy_loss.png │ └── lithium_vapor_shield_nuclear_energy_loss.png ├── python_bindings │ ├── implanted.png │ └── sputtered.png ├── spherical_geometry │ ├── mayavi_sphere.png │ ├── sphere_trajectories.png │ ├── sphere_trajectories_2.png │ └── spherical_geometry.png ├── testlogo.png └── triangular_mesh │ ├── castellated.png │ ├── cube_2.png │ ├── mayavi_two_of_them.png │ └── tungsten_twist.png ├── examples ├── RustBCA.c ├── benchmark_eam.py ├── benchmark_nnp.py ├── boron_nitride_0D.toml ├── boron_nitride_sphere.toml ├── boron_nitride_wire.toml ├── boron_nitride_wire_homogeneous.toml ├── layered_geometry.toml ├── layered_geometry_1D.toml ├── lithium_vapor_shield.toml ├── multiple_interaction_potentials.toml ├── test_morse.py ├── test_rustbca.f90 ├── test_rustbca.py ├── titanium_dioxide_0D.toml ├── tungsten_tiles_trimesh.toml └── 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