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Slight modification to options for python compound bca.
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src/lib.rs

Lines changed: 6 additions & 6 deletions
Original file line numberDiff line numberDiff line change
@@ -1033,9 +1033,9 @@ pub fn compound_bca_list_py(energies: Vec<f64>, ux: Vec<f64>, uy: Vec<f64>, uz:
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track_recoil_trajectories: false,
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write_buffer_size: 8000,
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weak_collision_order: 3,
1036-
suppress_deep_recoils: false,
1037-
high_energy_free_flight_paths: false,
1038-
electronic_stopping_mode: ElectronicStoppingMode::INTERPOLATED,
1036+
suppress_deep_recoils: true,
1037+
high_energy_free_flight_paths: true,
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electronic_stopping_mode: ElectronicStoppingMode::LOW_ENERGY_NONLOCAL,
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mean_free_path_model: MeanFreePathModel::LIQUID,
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interaction_potential: vec![vec![InteractionPotential::KR_C]],
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scattering_integral: vec![vec![ScatteringIntegral::MENDENHALL_WELLER]],
@@ -1070,9 +1070,9 @@ pub fn compound_bca_list_py(energies: Vec<f64>, ux: Vec<f64>, uy: Vec<f64>, uz:
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track_recoil_trajectories: false,
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write_buffer_size: 8000,
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weak_collision_order: 3,
1073-
suppress_deep_recoils: false,
1073+
suppress_deep_recoils: true,
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high_energy_free_flight_paths: false,
1075-
electronic_stopping_mode: ElectronicStoppingMode::INTERPOLATED,
1075+
electronic_stopping_mode: ElectronicStoppingMode::LOW_ENERGY_NONLOCAL,
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mean_free_path_model: MeanFreePathModel::LIQUID,
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interaction_potential: vec![vec![InteractionPotential::KR_C]],
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scattering_integral: vec![vec![ScatteringIntegral::MENDENHALL_WELLER]],
@@ -1097,7 +1097,7 @@ pub fn compound_bca_list_py(energies: Vec<f64>, ux: Vec<f64>, uy: Vec<f64>, uz:
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Z: Z2,
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m: m2,
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interaction_index: vec![0; num_species_target],
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surface_binding_model: SurfaceBindingModel::AVERAGE,
1100+
surface_binding_model: SurfaceBindingModel::INDIVIDUAL,
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bulk_binding_model: BulkBindingModel::INDIVIDUAL,
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};
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