From 93c66db7a5088c5b3ce15866cf37c1842bb746e2 Mon Sep 17 00:00:00 2001 From: "Maier, Lukas" <lukas.maier@tugraz.at> Date: Tue, 8 Oct 2024 16:14:29 +0200 Subject: [PATCH] Added documentation and readme to each subfolder --- README.md | 3 +- .../output_0.25_0.25.csv | 0 ...articles_drawdown_0.25_seed_39451.liggghts | 0 ...articles_drawdown_0.25_seed_39511.liggghts | 0 ...articles_drawdown_0.25_seed_39563.liggghts | 0 ...articles_drawdown_0.25_seed_39799.liggghts | 0 ...articles_drawdown_0.25_seed_39847.liggghts | 0 ...articles_drawdown_0.25_seed_39857.liggghts | 0 ...articles_drawdown_0.25_seed_39937.liggghts | 0 ...articles_drawdown_0.25_seed_40151.liggghts | 0 ...articles_drawdown_0.25_seed_40193.liggghts | 0 ...articles_drawdown_0.25_seed_40519.liggghts | 0 ...articles_drawdown_0.25_seed_40961.liggghts | 0 ...articles_drawdown_0.25_seed_41231.liggghts | 0 ...articles_drawdown_0.25_seed_41269.liggghts | 0 ...articles_drawdown_0.25_seed_41467.liggghts | 0 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demo/datafile.csv | 9 ----- demo/datafile.pdf | Bin 147640 -> 0 bytes demo/datafile.xlsx | Bin 10624 -> 10625 bytes postprocessing/helper.py | 31 +++++++++--------- .../Drawdown_L_10_D_14_scale_0.0075/Allins.sh | 18 +++++----- .../Allmake.sh | 21 ++++++------ .../Drawdown_L_10_D_14_scale_0.0075/Allrun.sh | 1 - .../Drawdown_L_10_D_14_scale_0.0075/README.md | 11 +++++++ runfiles/README.md | 1 + 165 files changed, 46 insertions(+), 49 deletions(-) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006 => Drawdown_L_10_D_14_scale_0.006}/output_0.25_0.25.csv (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006 => Drawdown_L_10_D_14_scale_0.006}/results/particles_drawdown_0.25_seed_39451.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006 => Drawdown_L_10_D_14_scale_0.006}/results/particles_drawdown_0.25_seed_39511.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006 => Drawdown_L_10_D_14_scale_0.006}/results/particles_drawdown_0.25_seed_39563.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006 => Drawdown_L_10_D_14_scale_0.006}/results/particles_drawdown_0.25_seed_39799.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006 => Drawdown_L_10_D_14_scale_0.006}/results/particles_drawdown_0.25_seed_39847.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006 => Drawdown_L_10_D_14_scale_0.006}/results/particles_drawdown_0.25_seed_39857.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006 => Drawdown_L_10_D_14_scale_0.006}/results/particles_drawdown_0.25_seed_39937.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006 => Drawdown_L_10_D_14_scale_0.006}/results/particles_drawdown_0.25_seed_40151.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006 => Drawdown_L_10_D_14_scale_0.006}/results/particles_drawdown_0.25_seed_40193.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006 => Drawdown_L_10_D_14_scale_0.006}/results/particles_drawdown_0.25_seed_40519.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006 => Drawdown_L_10_D_14_scale_0.006}/results/particles_drawdown_0.25_seed_40961.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006 => Drawdown_L_10_D_14_scale_0.006}/results/particles_drawdown_0.25_seed_41231.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006 => Drawdown_L_10_D_14_scale_0.006}/results/particles_drawdown_0.25_seed_41269.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006 => Drawdown_L_10_D_14_scale_0.006}/results/particles_drawdown_0.25_seed_41467.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006 => Drawdown_L_10_D_14_scale_0.006}/results/particles_drawdown_0.25_seed_41507.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006 => Drawdown_L_10_D_14_scale_0.006}/results/particles_drawdown_0.25_seed_41539.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006 => Drawdown_L_10_D_14_scale_0.006}/results/particles_drawdown_0.25_seed_41579.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006 => Drawdown_L_10_D_14_scale_0.006}/results/particles_drawdown_0.25_seed_41621.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006 => 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demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.0075 => Drawdown_L_10_D_14_scale_0.0075}/results/particles_drawdown_0.25_seed_41221.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.0075 => Drawdown_L_10_D_14_scale_0.0075}/results/particles_drawdown_0.25_seed_41507.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.0075 => Drawdown_L_10_D_14_scale_0.0075}/results/particles_drawdown_0.25_seed_41539.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.0075 => Drawdown_L_10_D_14_scale_0.0075}/results/particles_drawdown_0.25_seed_41549.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.0075 => Drawdown_L_10_D_14_scale_0.0075}/results/particles_drawdown_0.25_seed_41957.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.0075 => Drawdown_L_10_D_14_scale_0.0075}/results/particles_drawdown_0.25_seed_41959.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.0075 => Drawdown_L_10_D_14_scale_0.0075}/results/particles_drawdown_0.25_seed_42013.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.0075 => Drawdown_L_10_D_14_scale_0.0075}/results/particles_drawdown_0.25_seed_42187.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.0075 => Drawdown_L_10_D_14_scale_0.0075}/results/particles_drawdown_0.25_seed_42293.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.0075 => Drawdown_L_10_D_14_scale_0.0075}/results/particles_drawdown_0.25_seed_42349.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.0075 => Drawdown_L_10_D_14_scale_0.0075}/results/particles_drawdown_0.25_seed_42403.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.0075 => Drawdown_L_10_D_14_scale_0.0075}/results/particles_drawdown_0.25_seed_42433.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.0075 => Drawdown_L_10_D_14_scale_0.0075}/results/particles_drawdown_0.25_seed_42589.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.0075 => Drawdown_L_10_D_14_scale_0.0075}/results/particles_drawdown_0.25_seed_42611.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.0075 => Drawdown_L_10_D_14_scale_0.0075}/results/particles_drawdown_0.25_seed_42701.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/output_0.25_0.25.csv (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_39133.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_39371.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_39397.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_39671.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_39679.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_39841.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_39869.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_39937.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_40289.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_40597.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_40609.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_40693.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_40813.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_40883.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_41039.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_41143.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_41183.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_41281.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_41621.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_41813.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_41941.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_41969.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_42101.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_42221.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_42257.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_42359.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_42649.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_42689.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_42709.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.008 => Drawdown_L_10_D_8_scale_0.008}/results/particles_drawdown_0.25_seed_42767.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/output_0.25_0.25.csv (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_39769.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_40163.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_40193.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_40231.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_40237.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_40427.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_40693.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_40697.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_40759.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_40771.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_40787.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_40829.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_40849.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_40883.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_41233.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_41351.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_41467.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_41609.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_41611.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_41617.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_41911.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_42023.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_42101.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_42169.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_42299.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_42433.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_42437.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_42457.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_42557.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0085 => Drawdown_L_10_D_8_scale_0.0085}/results/particles_drawdown_0.25_seed_42767.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/output_0.25_0.25.csv (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_39383.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_39451.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_39461.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_39521.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_39671.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_39709.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_39877.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_39971.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_40093.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_40111.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_40289.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_40493.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_40597.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_40759.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_40763.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_40819.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_40993.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_41077.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_41177.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_41269.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_42071.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_42073.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_42209.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_42397.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_42403.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_42443.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_42499.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_42649.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_42727.liggghts (100%) rename demo/{Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095 => Drawdown_L_10_D_8_scale_0.0095}/results/particles_drawdown_0.25_seed_42737.liggghts (100%) delete mode 100644 demo/datafile.csv delete mode 100644 demo/datafile.pdf create mode 100644 runfiles/Drawdown_L_10_D_14_scale_0.0075/README.md diff --git a/README.md b/README.md index 81461cc..d8d862a 100644 --- a/README.md +++ b/README.md @@ -1,6 +1,5 @@ -This repository contains the data presented in the publication "The Uncertainty Inherent to DEM Simulations: Insights from an Interlocking Parcel Model" by Maier, Mitterlindner, Benabchiasli, Fasching, and Radl (2024) in Scientific Reports +This repository contains the simulation code and postprocessing presented in the publication "The Uncertainty Inherent to DEM Simulations: Insights from an Interlocking Parcel Model" by Maier, Mitterlindner, Benabchiasli, Fasching, and Radl (2024) in Scientific Reports -- The folder "data" contains the data corresponding to the presented figures and tables, labeled using the same variables as in the paper. - The folder "runfiles" contains the respective codebase to setup the DEM simulations using the settings and conditions described within the paper. - The folder "postprocessing" uses the simulation data (i.e., "*.liggghts"-files) to extract the relevant data and analyse it statistically. - The folder "demo" contains demo-"*.liggghts"-files for direct postprocessing without the need to run the simulation to test the postprocessing routines. diff --git a/demo/Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006/output_0.25_0.25.csv b/demo/Drawdown_L_10_D_14_scale_0.006/output_0.25_0.25.csv similarity index 100% rename from demo/Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006/output_0.25_0.25.csv rename to demo/Drawdown_L_10_D_14_scale_0.006/output_0.25_0.25.csv diff --git a/demo/Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006/results/particles_drawdown_0.25_seed_39451.liggghts b/demo/Drawdown_L_10_D_14_scale_0.006/results/particles_drawdown_0.25_seed_39451.liggghts similarity index 100% rename from demo/Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006/results/particles_drawdown_0.25_seed_39451.liggghts rename to demo/Drawdown_L_10_D_14_scale_0.006/results/particles_drawdown_0.25_seed_39451.liggghts diff --git a/demo/Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006/results/particles_drawdown_0.25_seed_39511.liggghts b/demo/Drawdown_L_10_D_14_scale_0.006/results/particles_drawdown_0.25_seed_39511.liggghts similarity index 100% rename from demo/Drawdown_insertion_seeds_master_L_10_D_14_cohe_3.1e5_scale_0.006/results/particles_drawdown_0.25_seed_39511.liggghts rename to 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demo/Drawdown_L_10_D_8_scale_0.0095/results/particles_drawdown_0.25_seed_42727.liggghts diff --git a/demo/Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095/results/particles_drawdown_0.25_seed_42737.liggghts b/demo/Drawdown_L_10_D_8_scale_0.0095/results/particles_drawdown_0.25_seed_42737.liggghts similarity index 100% rename from demo/Drawdown_insertion_seeds_master_L_10_D_8_cohe_3.1e5_scale_0.0095/results/particles_drawdown_0.25_seed_42737.liggghts rename to demo/Drawdown_L_10_D_8_scale_0.0095/results/particles_drawdown_0.25_seed_42737.liggghts diff --git a/demo/datafile.csv b/demo/datafile.csv deleted file mode 100644 index 0fd97b2..0000000 --- a/demo/datafile.csv +++ /dev/null @@ -1,9 +0,0 @@ -D,L,scale,Nparcels,Arch,Heap_mean,Heap_std,Heap_ci_lower,Heap_ci_upper,Heap_var,Heap_index_of_dispersion,Heap_num_data_points,Height_mean,Height_std,Height_ci_lower,Height_ci_upper,Height_num_data_points,NumAtoms_mean,NumAtoms_std,NumAtoms_ci_lower,NumAtoms_ci_upper,NumAtoms_num_data_points,ParticleVolumeFraction_mean,ParticleVolumeFraction_ci_lower,ParticleVolumeFraction_ci_upper,Inverse_NumAtoms,Necessary_Sample_Size,Necessary_Sample_Size_noarch,Fraction_arched -4.0,10.0,0.01,7.743708943705963,1,0.3472435827026237,0.0684615271444725,0.2753976161555079,0.4190895492497395,0.0046869806989533,0.0134976740605951,6,0.1214341333333333,0.0172220994430605,0.1033606483839527,0.1395076182827138,6,1812.8333333333333,19.67146834038239,1792.1893933678505,1833.477273298816,6,0.0197158590330054,0.0194913414213964,0.0199403766446145,0.1291370849898476,135.5248582070885,135.5248582070885,0.2857142857142857 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If the number `n` is 0, the function will return 0. For non-zero numbers, - the function calculates the order of magnitude of the number and scales - it accordingly to round it to the given number of significant digits. + the function calculates the order of magnitude of the number and scales + it accordingly to round it to the given number of significant digits. After rounding, the number is scaled back to its original range. - + Example: round_to_significant_digits(12345.6789, 3) -> 12300 round_to_significant_digits(0.001234, 2) -> 0.0012 @@ -102,17 +102,17 @@ def create_dataframe(data_dict, arch_value): Create a Pandas DataFrame from a dictionary of data with associated architecture value. Args: - data_dict (dict): A dictionary where the keys are tuples of the form - (Nparcels, cohE) and the values are dictionaries containing + data_dict (dict): A dictionary where the keys are tuples of the form + (Nparcels, cohE) and the values are dictionaries containing various metrics and statistics for each combination. - arch_value (str or int): The architecture value that will be assigned to the "Arch" column + arch_value (str or int): The architecture value that will be assigned to the "Arch" column of the DataFrame. Returns: - pd.DataFrame: A DataFrame containing all the data from `data_dict`, with each row - representing one combination of `Nparcels` and `cohE`. The columns in the + pd.DataFrame: A DataFrame containing all the data from `data_dict`, with each row + representing one combination of `Nparcels` and `cohE`. The columns in the DataFrame include various statistics and metrics such as: - + - D - xi - Nparcels @@ -124,7 +124,7 @@ def create_dataframe(data_dict, arch_value): - Inverse_NumAtoms - Necessary_Sample_Size, Necessary_Sample_Size_noarch - The function iterates over each (Nparcels, cohE) pair in `data_dict`, extracts the corresponding + The function iterates over each (Nparcels, cohE) pair in `data_dict`, extracts the corresponding values, and appends them as rows to the DataFrame. It then sorts the DataFrame by "Nparcels". Example: @@ -185,9 +185,9 @@ def create_dataframe(data_dict, arch_value): def combine_csvs_to_excel(csv_files, output_file): """ - Combine multiple CSV files into a single Excel workbook, with each CSV file - placed in a separate sheet. The sheet name is derived from the CSV file name - (without path and extension). Each sheet is formatted with a table and column + Combine multiple CSV files into a single Excel workbook, with each CSV file + placed in a separate sheet. The sheet name is derived from the CSV file name + (without path and extension). Each sheet is formatted with a table and column widths are auto-adjusted. Args: @@ -196,11 +196,11 @@ def combine_csvs_to_excel(csv_files, output_file): Process: 1. Iterates over the list of CSV files. - 2. Reads each CSV into a Pandas DataFrame and writes it to a new sheet in + 2. Reads each CSV into a Pandas DataFrame and writes it to a new sheet in the Excel file. 3. The sheet name is the CSV file name (without its extension). 4. Adds a table for each sheet, with a default "TableStyleMedium22" style. - 5. Automatically adjusts column widths based on the longest cell content + 5. Automatically adjusts column widths based on the longest cell content in each column. 6. Writes the combined data into an Excel workbook using the "openpyxl" engine. @@ -263,4 +263,3 @@ def combine_csvs_to_excel(csv_files, output_file): worksheet.column_dimensions[column].width = adjusted_width print(f"Combined CSV files into {output_file}") - diff --git a/runfiles/Drawdown_L_10_D_14_scale_0.0075/Allins.sh b/runfiles/Drawdown_L_10_D_14_scale_0.0075/Allins.sh index f82794f..aa9d6b7 100644 --- a/runfiles/Drawdown_L_10_D_14_scale_0.0075/Allins.sh +++ b/runfiles/Drawdown_L_10_D_14_scale_0.0075/Allins.sh @@ -2,41 +2,39 @@ # Shell Script for LIGGGHTS Simulations with Random Prime Seeds -# This script is used to run multiple LIGGGHTS simulations by generating random prime numbers to use as seeds. -# It executes LIGGGHTS insertion simulations repeatedly until a specified number of restart files are generated +# This script is used to run multiple LIGGGHTS simulations by generating random prime numbers to use as seeds. +# It executes LIGGGHTS insertion simulations repeatedly until a specified number of restart files are generated # in the target directory. # Key Components: # - **LIGGGHTS_EXEC**: Specifies the LIGGGHTS executable to use for the simulations (e.g., 'liggghts-cg_heat'). # - **LIGGGHTS_SCRIPT_INS**: Specifies the LIGGGHTS script used for particle insertion ($(insertion.in)). -# - **LIGGGHTS_SCRIPT_SETTLING**: Placeholder for another LIGGGHTS script for settling ($(ins.in)), though not executed +# - **LIGGGHTS_SCRIPT_SETTLING**: Placeholder for another LIGGGHTS script for settling ($(ins.in)), though not executed # in this script. # Functions: # - **is_prime()**: Checks if a given number is prime. Returns $(0) if the number is prime, otherwise returns $(1). -# - **generate_random_prime()**: Generates a random prime number greater than 10,000 to be used as the seed for each +# - **generate_random_prime()**: Generates a random prime number greater than 10,000 to be used as the seed for each # LIGGGHTS simulation. # Steps: -# 1. **Directory Setup**: The script sets $(directory="restart") to monitor the number of files generated in the restart +# 1. **Directory Setup**: The script sets $(directory="restart") to monitor the number of files generated in the restart # directory. # 2. **Folder and Scale Extraction**: The script determines its location and extracts the scaling factor from the folder name. -# 3. **Prime Seed Generation**: The script enters a loop where it repeatedly generates a random prime number and uses it +# 3. **Prime Seed Generation**: The script enters a loop where it repeatedly generates a random prime number and uses it # as a seed for running the LIGGGHTS insertion simulation. -# 4. **Simulation Execution**: It runs the LIGGGHTS simulation ($(${LIGGGHTS_EXEC})) with the prime number as a random seed +# 4. **Simulation Execution**: It runs the LIGGGHTS simulation ($(${LIGGGHTS_EXEC})) with the prime number as a random seed # and the extracted scaling factor, using the $(insertion.in) script. -# 5. **Stopping Condition**: The script continues running simulations until the number of files in the $(restart) directory +# 5. **Stopping Condition**: The script continues running simulations until the number of files in the $(restart) directory # reaches 300. # Notes: # - Ensure that the LIGGGHTS executable and input scripts are correctly set and available in the environment where the script runs. # - The script will stop once 300 restart files are found in the $(restart) directory. - LIGGGHTS_EXEC='liggghts-cg_heat' LIGGGHTS_SCRIPT_INS="insertion.in" - is_prime() { n=$1 if [ $n -le 1 ]; then diff --git a/runfiles/Drawdown_L_10_D_14_scale_0.0075/Allmake.sh b/runfiles/Drawdown_L_10_D_14_scale_0.0075/Allmake.sh index 0ff627e..5bbfd0a 100644 --- a/runfiles/Drawdown_L_10_D_14_scale_0.0075/Allmake.sh +++ b/runfiles/Drawdown_L_10_D_14_scale_0.0075/Allmake.sh @@ -4,26 +4,26 @@ # This script performs the following tasks: -# 1. **Extract L and D Values**: +# 1. **Extract L and D Values**: # - Retrieves the script's current directory and extracts the parent folder name. -# - Parses the folder name to extract the `L` (tetrapod length) and `D` (sphere diameter) values using regular expressions. +# - Parses the folder name to extract the `L` (tetrapod length) and `D` (sphere diameter) values using regular expressions. # - The values are used for further file generation. -# 2. **Validation**: +# 2. **Validation**: # - Ensures that valid `L` and `D` values have been extracted. If either is missing or invalid, the script exits with an error message. -# 3. **Generate Multisphere Data File**: +# 3. **Generate Multisphere Data File**: # - Creates a new directory (`multisphere_data`) and generates a multisphere data file (`tetraeder.multisphere`) with the extracted `L` and `D` values. # - The content of the file includes the coordinates for a tetrahedron structure, with each line representing the coordinates and radius (`D`) of a sphere. -# 4. **Cleanup Files**: +# 4. **Cleanup Files**: # - Removes all files in the current directory except those with `.in` and `.sh` extensions. # - Clears the contents of any directories starting with "post", but leaves the directories themselves intact. # Steps: -# - **L and D Extraction**: +# - **L and D Extraction**: # - `L` is extracted using `sed` to handle decimal values, while `D` is extracted using `grep` with a regular expression for proper matching. - + # - **File Generation**: # - The multisphere data file (`tetraeder.multisphere`) is populated with the extracted `L` and `D` values, using the format required for tetrahedron coordinates and sphere radii. @@ -37,7 +37,6 @@ # Example folder name format for extraction: `simulation_L1.5_D3`. - # Get the directory where the script is located script_dir=$(dirname "$(realpath "$0")") @@ -55,8 +54,8 @@ echo "Extracted D: $D" # Handle cases where L or D might be empty or invalid if [ -z "$L" ] || [ -z "$D" ]; then - echo "Error: Could not extract L and/or D values from folder name." - exit 1 + echo "Error: Could not extract L and/or D values from folder name." + exit 1 fi # Calculate new values @@ -71,7 +70,7 @@ output_file="multisphere_data/tetraeder.multisphere" # Create the output file with the desired content mkdir -p "$(dirname "$output_file")" -cat <<EOL > "$output_file" +cat <<EOL >"$output_file" $L $L $L 0.$radius $L -$L -$L 0.$radius -$L $L -$L 0.$radius diff --git a/runfiles/Drawdown_L_10_D_14_scale_0.0075/Allrun.sh b/runfiles/Drawdown_L_10_D_14_scale_0.0075/Allrun.sh index 22a626a..e0086c9 100644 --- a/runfiles/Drawdown_L_10_D_14_scale_0.0075/Allrun.sh +++ b/runfiles/Drawdown_L_10_D_14_scale_0.0075/Allrun.sh @@ -30,7 +30,6 @@ # - LIGGGHTS must be installed and accessible in the environment where this script is executed. # - Ensure that the SLURM job configuration aligns with the resources required for the simulations. - LIGGGHTS_EXEC='liggghts-cg_heat' LIGGGHTS_SCRIPT_SETTLING="settling.in" diff --git a/runfiles/Drawdown_L_10_D_14_scale_0.0075/README.md b/runfiles/Drawdown_L_10_D_14_scale_0.0075/README.md new file mode 100644 index 0000000..859ad48 --- /dev/null +++ b/runfiles/Drawdown_L_10_D_14_scale_0.0075/README.md @@ -0,0 +1,11 @@ +This folder contains all simulation code used within the present contribution, exemplarily shown using a specific configuration. +There are two main filetypes: +- *in-files: LIGGGHTS runfiles which directly state the instructions used for the simulation +- *sh-files: Bashscripts used for preprocessing and copying simulation data automatically to the right location + +To execute 10 simulations with different random seeds: +- execute ./Allins.sh: generation of correct tetrapod-geometry based on foldername (L=coordinate of vertices of tetrahedron in mm, D=diameter of spheres), insertion of tetrapods into simulation domain using 10 different random seeds +- execute ./Allrun.sh: settling in upper box and drawdown-test + +The exact parameter usage and functions within each file are described in the respective docstrings at the beginning of each file. +The files within the "in" directory are parameters used within the simulation, as defined in the present contribution in Table 1. \ No newline at end of file diff --git a/runfiles/README.md b/runfiles/README.md index e69de29..85d0f2b 100644 --- a/runfiles/README.md +++ b/runfiles/README.md @@ -0,0 +1 @@ +Example usage of simulation code. \ No newline at end of file -- GitLab