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El kinetic kd test case

Emil Loevbak requested to merge EL_kinetic_KD_test_case into master

Starting point for a benchmark for comparing different path generation methods.

  • The executable eiron-path-distribution-test traces paths and writes their location counts (divided by the number of trajectories at fixed intervals dt to a grid.
  • The script run-path-comparison.sh repeatedly calls this executable for differing number of particles with for two different seeds. It then calls eiron-compare-output to compare the results. We expect the MSE to decrease inverse linearly with the number of samples.

Issues before merging:

  • eiron-compare-output crashes, comparison needs to be done another way. @lapposka , you showed me how to do this last week, but I lost the commands. Can you document these here?
  • I'm not good enough with CMake to get the script to copy to the equivalent folder in the build directory automatically. Again, @lapposka I could use some help here.

Next steps:

  • Do we have a good value now for delta_t? This should be tested after everything works.
  • Using this benchmark to compare KDMC and kinetic simulation.
Edited by Emil Loevbak

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