How lucas-cks/rutherford-scattering-rbs-simulation works
This repository is a Rutherford-scattering/RBS research workflow: it simulates particle interactions, automates parameter sweeps, analyzes and aggregates results, and trains neural-network surrogates for interactive prediction and periodic-table scans. The map preserves both the standalone Rutherford simulation and the importance-sampled RBS branch. Edges reflect calls, file handoffs, or README-documented stages; unsampled connections are omitted rather than inferred.
Main entry points: python_driver.py Batch Driver · analyse_RBS.py Analysis Pipeline · Analysis_Results Surrogate Models · RBS_OpenMP.c OpenMP RBS Simulator
Components 15
Monte Carlo Simulation
- Rutherford Monte Carlo
stage_1_rutherford_scattering/rutherford_scattering.c - Rutherford Results
stage_1_rutherford_scattering/Result_Z79_T4.00e-05_N1000000_E5.52MeV/simulation_results.txt - Result Visualizer
stage_1_rutherford_scattering/data_visualise.py - OpenMP RBS Simulator
stage_2_RBS/RBS_OpenMP.c - RBS Outputs
stage_2_RBS/simulation_results.txt
Dataset Factory
- Run-list Generator
stage_3_data_factory/run_list_generator.py - Run List
stage_3_data_factory/run_list.csv - Batch Driver
stage_3_data_factory/python_driver.py - Batch Results
stage_3_data_factory/Results.zip
Analysis and Models
- Analysis Pipeline
stage_4_neural_network/analyse_RBS.py - Aggregated Results
stage_4_neural_network/Analysis_Results/summary_aggregated.csv - Surrogate Models
stage_4_neural_network/Analysis_Results
Surrogate Inference
- Interactive Predictor
stage_4_neural_network/Predictor.py - Periodic-table Scanner
stage_4_neural_network/Periodic_table_scanner.py
Other components
- Researcher
Connections 16
- Researcher → Rutherford Monte Carlo: configures
README.md - Rutherford Monte Carlo → Rutherford Results: writes results
README.md - Rutherford Results → Result Visualizer: reads results
stage_1_rutherford_scattering/data_visualise.py - Researcher → OpenMP RBS Simulator: configures
README.md - OpenMP RBS Simulator → RBS Outputs: writes outputs
README.md - Run-list Generator → Run List: generates
stage_3_data_factory/run_list_generator.py - Run List → Batch Driver: drives runs
stage_3_data_factory/python_driver.py - Batch Driver → OpenMP RBS Simulator: dispatches
stage_3_data_factory/python_driver.py - Batch Driver → Batch Results: collects outputs
stage_3_data_factory/python_driver.py - Batch Results → Analysis Pipeline: supplies data
README.md - Analysis Pipeline → Aggregated Results: writes summaries
README.md - Analysis Pipeline → Surrogate Models: trains and saves
stage_4_neural_network/analyse_RBS.py - Surrogate Models → Interactive Predictor: provides weights
stage_4_neural_network/Predictor.py - Surrogate Models → Periodic-table Scanner: provides weights
stage_4_neural_network/Periodic_table_scanner.py - Researcher → Interactive Predictor: enters parameters
stage_4_neural_network/Predictor.py - Researcher → Periodic-table Scanner: requests sweep
stage_4_neural_network/Periodic_table_scanner.py