├── tex └── figs │ ├── ext_y_14a.pdf │ ├── ext_y_14b.pdf │ ├── AR_22_vs_norm.pdf │ ├── ellis_ang_inc.pdf │ ├── replication_14a.pdf │ ├── replication_14b.pdf │ ├── tri_reg_round_14a.pdf │ ├── tri_reg_round_14b.pdf │ ├── AR_rep_FS4_Ellis2016.pdf │ ├── cubeL535nm_15Kvs19K.pdf │ ├── rockstuhl_rectangles.pdf │ ├── pygbe_vs_exp_fig2a_Ellis.pdf │ ├── replication_FOA_fig2a_Ellis.pdf │ └── validation_FOA_fig2a_Ellis.pdf ├── repro_packs ├── rockstuhl │ ├── repro_results_plots │ │ ├── results_data │ │ │ ├── cube_535nm_res │ │ │ │ ├── Time_cube_15K.txt │ │ │ │ └── Time_cube_19K.txt │ │ │ ├── prism_SE_LE_res │ │ │ │ ├── Time_prism_34K_long_edge.txt │ │ │ │ └── Time_prism_34K_short_edge.txt │ │ │ ├── prism_672x1344x328nm_res │ │ │ │ ├── Time_prism_36K_long_edge.txt │ │ │ │ └── Time_prism_36K_short_edge.txt │ │ │ ├── prism_regular_SE_LE_res │ │ │ │ ├── Time_prism_reg_36K_LE_y13K.txt │ │ │ │ ├── Time_prism_reg_36K_SE_y13K.txt │ │ │ │ ├── Time_prism_reg_38K_long_edge.txt │ │ │ │ └── Time_prism_reg_38K_short_edge.txt │ │ │ └── prism_round_reg_SE_LE_res │ │ │ │ ├── Time_prism_round_reg_38K_long_edge.txt │ │ │ │ └── Time_prism_round_reg_38K_short_edge.txt │ │ ├── extend_third_dir_fig14 │ │ │ └── original │ │ │ │ ├── ext_y_14a.pdf │ │ │ │ ├── ext_y_14b.pdf │ │ │ │ ├── tri_reg_round_14a.pdf │ │ │ │ └── tri_reg_round_14b.pdf │ │ ├── replication_fig14 │ │ │ └── original │ │ │ │ ├── replication_14a.pdf │ │ │ │ └── replication_14b.pdf │ │ ├── grid_indep_fig │ │ │ └── original │ │ │ │ └── cubeL535nm_15Kvs19K.pdf │ │ ├── README.md │ │ └── figure_14_rocksthul_digitized │ │ │ ├── long_edge.csv │ │ │ └── short_edge.csv │ └── repro_exec_files │ │ ├── results_data │ │ ├── cube_535nm_res │ │ │ └── original │ │ │ │ ├── Time_cube_15K.txt │ │ │ │ └── Time_cube_19K.txt │ │ ├── prism_SE_LE_res │ │ │ └── original │ │ │ │ ├── Time_prism_34K_long_edge.txt │ │ │ │ └── Time_prism_34K_short_edge.txt │ │ ├── prism_672x1344x328nm_res │ │ │ └── original │ │ │ │ ├── Time_prism_36K_long_edge.txt │ │ │ │ └── Time_prism_36K_short_edge.txt │ │ ├── prism_regular_SE_LE_res │ │ │ └── original │ │ │ │ ├── Time_prism_reg_36K_LE_y13K.txt │ │ │ │ ├── Time_prism_reg_36K_SE_y13K.txt │ │ │ │ ├── Time_prism_reg_38K_long_edge.txt │ │ │ │ └── Time_prism_reg_38K_short_edge.txt │ │ └── prism_round_reg_SE_LE_res │ │ │ └── original │ │ │ ├── Time_prism_round_reg_38K_long_edge.txt │ │ │ └── Time_prism_round_reg_38K_short_edge.txt │ │ ├── dielectric_data │ │ └── invert_data_ascendant_order.ipynb │ │ ├── scripts │ │ ├── cext_wave_cube_15K.py │ │ ├── cext_wave_cube_19K.py │ │ ├── cext_wave_prism_34K_LE.py │ │ ├── cext_wave_prism_34K_SE.py │ │ ├── cext_wave_prism_36K_LE.py │ │ ├── cext_wave_prism_36K_SE.py │ │ ├── cext_wave_prism_reg_38K_LE.py │ │ ├── cext_wave_prism_reg_38K_SE.py │ │ ├── cext_wave_prism_reg_36K_LE_y13K.py │ │ ├── cext_wave_prism_reg_36K_SE_y13K.py │ │ ├── cext_wave_prism_round_reg_38K_LE.py │ │ ├── cext_wave_prism_round_reg_38K_SE.py │ │ └── cext_wavelength_scanning.py │ │ └── README.MD └── ellis │ ├── repro_exec_files │ ├── results_data │ │ ├── iso_pillar_AR │ │ │ └── original │ │ │ │ ├── Time_iso_pillar_AR_2_800-1000cm-1.txt │ │ │ │ ├── Time_iso_pillar_AR_1_800-1000cm-1.txt │ │ │ │ ├── Time_iso_pillar_AR_3_800-1000cm-1.txt │ │ │ │ ├── Time_iso_pillar_AR_4_800-1000cm-1.txt │ │ │ │ ├── Time_iso_pillar_AR_5_800-1000cm-1.txt │ │ │ │ ├── Time_iso_pillar_AR_6_800-1000cm-1.txt │ │ │ │ ├── Time_iso_pillar_AR_7_800-1000cm-1.txt │ │ │ │ ├── iso_pillar_AR_1_800-1000cm-1_in_ang.txt │ │ │ │ └── iso_pillar_AR_2_800-1000cm-1_in_ang.txt │ │ ├── iso_pillar_AR4_22 │ │ │ └── original │ │ │ │ ├── Time_iso_pillar_AR4_22_LE_800-1000cm-1.txt │ │ │ │ ├── Time_iso_pillar_AR4_22_SE_800-1000cm-1.txt │ │ │ │ └── iso_pillar_AR4_22_SE_800-1000cm-1_in_ang.txt │ │ └── iso_pillar_AR_22deg │ │ │ └── original │ │ │ ├── Time_iso_pillar_AR_1_22deg_800-1000cm-1.txt │ │ │ ├── Time_iso_pillar_AR_2_22deg_800-1000cm-1.txt │ │ │ ├── Time_iso_pillar_AR_3_22deg_800-1000cm-1.txt │ │ │ ├── Time_iso_pillar_AR_4_22deg_800-1000cm-1.txt │ │ │ ├── Time_iso_pillar_AR_5_22deg_800-1000cm-1.txt │ │ │ ├── Time_iso_pillar_AR_6_22deg_800-1000cm-1.txt │ │ │ ├── Time_iso_pillar_AR_7_22deg_800-1000cm-1.txt │ │ │ ├── iso_pillar_AR_1_22deg_800-1000cm-1_in_ang.txt │ │ │ └── iso_pillar_AR_2_22deg_800-1000cm-1_in_ang.txt │ ├── extra │ │ ├── results_data │ │ │ ├── iso_pillar │ │ │ │ └── original │ │ │ │ │ ├── Time_iso_pillar_long_edge_800-1000cm-1.txt │ │ │ │ │ ├── Time_iso_pillar_short_edge_800-1000cm-1.txt │ │ │ │ │ └── iso_pillar_short_edge_800-1000cm-1_in_ang.txt │ │ │ ├── iso_pillar_reg │ │ │ │ └── original │ │ │ │ │ └── Time_iso_pillar_long_edge_800-1000cm-1.txt │ │ │ └── iso_pillar_round │ │ │ │ └── original │ │ │ │ ├── Time_iso_pillar_long_edge_4K_800-1000cm-1.txt │ │ │ │ └── Time_iso_pillar_long_edge_800-1000cm-1.txt │ │ └── scripts │ │ │ ├── cext_wave_iso_pillar_long_edge.py │ │ │ ├── cext_wave_iso_pillar_long_edge_reg.py │ │ │ ├── cext_wave_iso_pillar_long_edge_round_8K.py │ │ │ └── cext_wave_iso_pillar_long_edge_round_4K.py │ ├── dielectric_data │ │ └── 4H-SIC_Angs_permittivity_20_32_each10.csv │ ├── scripts │ │ ├── cext_wave_iso_pillar_AR1.py │ │ ├── cext_wave_iso_pillar_AR2.py │ │ ├── cext_wave_iso_pillar_AR3.py │ │ ├── cext_wave_iso_pillar_AR4.py │ │ ├── cext_wave_iso_pillar_AR5.py │ │ ├── cext_wave_iso_pillar_AR6.py │ │ ├── cext_wave_iso_pillar_AR7.py │ │ ├── cext_wave_iso_pillar_AR1_22.py │ │ ├── cext_wave_iso_pillar_AR2_22.py │ │ ├── cext_wave_iso_pillar_AR3_22.py │ │ ├── cext_wave_iso_pillar_AR4_22.py │ │ ├── cext_wave_iso_pillar_AR5_22.py │ │ ├── cext_wave_iso_pillar_AR6_22.py │ │ ├── cext_wave_iso_pillar_AR7_22.py │ │ ├── cext_wave_iso_pillar_AR4_22orig_LE.py │ │ ├── cext_wave_iso_pillar_AR4_22orig_SE.py │ │ └── cext_wavelength_scanning.py │ └── README.MD │ └── repro_results_plots │ ├── results_data │ ├── iso_pillar_AR │ │ ├── times │ │ │ ├── Time_iso_pillar_AR_2_800-1000cm-1.txt │ │ │ ├── Time_iso_pillar_AR_1_800-1000cm-1.txt │ │ │ ├── Time_iso_pillar_AR_3_800-1000cm-1.txt │ │ │ ├── Time_iso_pillar_AR_4_800-1000cm-1.txt │ │ │ ├── Time_iso_pillar_AR_5_800-1000cm-1.txt │ │ │ ├── Time_iso_pillar_AR_6_800-1000cm-1.txt │ │ │ └── Time_iso_pillar_AR_7_800-1000cm-1.txt │ │ ├── iso_pillar_AR_1_800-1000cm-1_in_ang.txt │ │ └── iso_pillar_AR_2_800-1000cm-1_in_ang.txt │ ├── iso_pillar_AR4_22 │ │ ├── Time_iso_pillar_AR4_22_LE_800-1000cm-1.txt │ │ ├── Time_iso_pillar_AR4_22_SE_800-1000cm-1.txt │ │ └── iso_pillar_AR4_22_SE_800-1000cm-1_in_ang.txt │ └── iso_pillar_AR_22deg │ │ ├── Time_iso_pillar_AR_1_22deg_800-1000cm-1.txt │ │ ├── Time_iso_pillar_AR_2_22deg_800-1000cm-1.txt │ │ ├── Time_iso_pillar_AR_3_22deg_800-1000cm-1.txt │ │ ├── Time_iso_pillar_AR_4_22deg_800-1000cm-1.txt │ │ ├── Time_iso_pillar_AR_5_22deg_800-1000cm-1.txt │ │ ├── Time_iso_pillar_AR_6_22deg_800-1000cm-1.txt │ │ ├── Time_iso_pillar_AR_7_22deg_800-1000cm-1.txt │ │ ├── iso_pillar_AR_1_22deg_800-1000cm-1_in_ang.txt │ │ └── iso_pillar_AR_2_22deg_800-1000cm-1_in_ang.txt │ ├── AR_lower_modes.txt │ ├── AR_rep_val_figs │ └── original │ │ ├── AR_lower_modes.txt │ │ ├── AR_22_vs_norm.pdf │ │ ├── AR_rep_FS4_Ellis2016.pdf │ │ ├── pygbe_vs_exp_fig2a_Ellis.pdf │ │ ├── validation_FOA_fig2a_Ellis.pdf │ │ └── replication_FOA_fig2a_Ellis.pdf │ ├── ellis_fig2_digit │ └── just_peaks │ │ ├── fig2a_parallel_red.csv │ │ ├── fig2b_perp_red.csv │ │ ├── fig2a_parallel_green.csv │ │ └── fig2b_perp_green.csv │ ├── ellis_figS4_digit │ ├── red_curve.csv │ └── black_curve.csv │ └── README.md ├── .gitignore ├── LICENSE ├── README.md └── Response_to_reviewers.md /tex/figs/ext_y_14a.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/barbagroup/pygbe_validation_paper/master/tex/figs/ext_y_14a.pdf -------------------------------------------------------------------------------- /tex/figs/ext_y_14b.pdf: 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-------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/results_data/iso_pillar_AR_22deg/original/Time_iso_pillar_AR_3_22deg_800-1000cm-1.txt: -------------------------------------------------------------------------------- 1 | time_total: 5799.3485271930695 s 2 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/results_data/iso_pillar_AR_22deg/original/Time_iso_pillar_AR_4_22deg_800-1000cm-1.txt: -------------------------------------------------------------------------------- 1 | time_total: 9834.455576181412 s 2 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/results_data/iso_pillar_AR_22deg/original/Time_iso_pillar_AR_5_22deg_800-1000cm-1.txt: -------------------------------------------------------------------------------- 1 | time_total: 11854.812401294708 s 2 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/results_data/iso_pillar_AR_22deg/original/Time_iso_pillar_AR_6_22deg_800-1000cm-1.txt: -------------------------------------------------------------------------------- 1 | time_total: 15028.30998468399 s 2 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/results_data/iso_pillar_AR_22deg/original/Time_iso_pillar_AR_7_22deg_800-1000cm-1.txt: -------------------------------------------------------------------------------- 1 | time_total: 18926.54992723465 s 2 | -------------------------------------------------------------------------------- /repro_packs/rockstuhl/repro_exec_files/results_data/prism_regular_SE_LE_res/original/Time_prism_reg_38K_long_edge.txt: -------------------------------------------------------------------------------- 1 | time_total: 52226.897436618805 s 2 | -------------------------------------------------------------------------------- /repro_packs/rockstuhl/repro_exec_files/results_data/prism_regular_SE_LE_res/original/Time_prism_reg_38K_short_edge.txt: -------------------------------------------------------------------------------- 1 | time_total: 49977.202263355255 s 2 | -------------------------------------------------------------------------------- /repro_packs/rockstuhl/repro_results_plots/results_data/prism_round_reg_SE_LE_res/Time_prism_round_reg_38K_long_edge.txt: -------------------------------------------------------------------------------- 1 | time_total: 42116.041270017624 s 2 | -------------------------------------------------------------------------------- /repro_packs/rockstuhl/repro_results_plots/results_data/prism_round_reg_SE_LE_res/Time_prism_round_reg_38K_short_edge.txt: -------------------------------------------------------------------------------- 1 | time_total: 39641.247853040695 s 2 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/extra/results_data/iso_pillar_round/original/Time_iso_pillar_long_edge_4K_800-1000cm-1.txt: -------------------------------------------------------------------------------- 1 | time_total: 2901.45361661911 s 2 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/extra/results_data/iso_pillar_round/original/Time_iso_pillar_long_edge_800-1000cm-1.txt: -------------------------------------------------------------------------------- 1 | time_total: 13144.787667751312 s 2 | -------------------------------------------------------------------------------- /repro_packs/rockstuhl/repro_exec_files/results_data/prism_round_reg_SE_LE_res/original/Time_prism_round_reg_38K_long_edge.txt: -------------------------------------------------------------------------------- 1 | time_total: 42116.041270017624 s 2 | -------------------------------------------------------------------------------- /repro_packs/rockstuhl/repro_exec_files/results_data/prism_round_reg_SE_LE_res/original/Time_prism_round_reg_38K_short_edge.txt: -------------------------------------------------------------------------------- 1 | time_total: 39641.247853040695 s 2 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_results_plots/AR_lower_modes.txt: -------------------------------------------------------------------------------- 1 | # AR , lambda [cm^-1] 2 | 1 917.72957 3 | 2 903.23342 4 | 3 888.79319 5 | 4 876.18624 6 | 5 865.57588 7 | 6 856.90385 8 | 7 850.13361 9 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_results_plots/AR_rep_val_figs/original/AR_lower_modes.txt: -------------------------------------------------------------------------------- 1 | # AR , lambda [cm^-1] 2 | 1 917.72957 3 | 2 903.23342 4 | 3 888.79319 5 | 4 876.18624 6 | 5 865.57588 7 | 6 856.90385 8 | 7 850.13361 9 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_results_plots/AR_rep_val_figs/original/AR_22_vs_norm.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/barbagroup/pygbe_validation_paper/master/repro_packs/ellis/repro_results_plots/AR_rep_val_figs/original/AR_22_vs_norm.pdf -------------------------------------------------------------------------------- /repro_packs/ellis/repro_results_plots/AR_rep_val_figs/original/AR_rep_FS4_Ellis2016.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/barbagroup/pygbe_validation_paper/master/repro_packs/ellis/repro_results_plots/AR_rep_val_figs/original/AR_rep_FS4_Ellis2016.pdf -------------------------------------------------------------------------------- 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https://raw.githubusercontent.com/barbagroup/pygbe_validation_paper/master/repro_packs/rockstuhl/repro_results_plots/extend_third_dir_fig14/original/tri_reg_round_14a.pdf -------------------------------------------------------------------------------- /repro_packs/rockstuhl/repro_results_plots/extend_third_dir_fig14/original/tri_reg_round_14b.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/barbagroup/pygbe_validation_paper/master/repro_packs/rockstuhl/repro_results_plots/extend_third_dir_fig14/original/tri_reg_round_14b.pdf -------------------------------------------------------------------------------- /repro_packs/ellis/repro_results_plots/ellis_fig2_digit/just_peaks/fig2a_parallel_red.csv: -------------------------------------------------------------------------------- 1 | 864.406779661017, 16.666666666666657 2 | 886.0169491525423, 82.82051282051282 3 | 908.4745762711864, 81.02564102564102 4 | 915.6779661016949, 69.74358974358974 5 | 951.6949152542373, 86.15384615384616 6 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_results_plots/ellis_fig2_digit/just_peaks/fig2b_perp_red.csv: -------------------------------------------------------------------------------- 1 | 883.2736424353886, 72.69577001258344 2 | 904.1283515632563, 86.64408092149836 3 | 917.7136772819669, 78.24605556093306 4 | 937.5181492595102, 63.8660342658019 5 | 954.9995160197464, 43.78278966218173 6 | 960.9040751137353, 13.278482237924635 7 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_results_plots/ellis_figS4_digit/red_curve.csv: -------------------------------------------------------------------------------- 1 | 1.0034094580577153, 905.7603686635945 2 | 2.000918258030507, 887.5115207373273 3 | 3.002304147465438, 873.7557603686637 4 | 4.001674970666759, 865.4608294930877 5 | 5.0000765215025424, 859.7926267281107 6 | 6.003298926998486, 856.0599078341014 7 | 7.000425119458567, 853.8479262672811 8 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_results_plots/ellis_figS4_digit/black_curve.csv: -------------------------------------------------------------------------------- 1 | 1.0021851140170401, 909.0783410138249 2 | 2.002856802761577, 897.258064516129 3 | 3.003426462836057, 885.7142857142858 4 | 4.002720764534834, 877.6267281105992 5 | 5.001173329705647, 871.8202764976959 6 | 6.0046763140442465, 867.3271889400922 7 | 7.002261635519581, 863.8709677419355 8 | -------------------------------------------------------------------------------- /.gitignore: -------------------------------------------------------------------------------- 1 | #Ignore LaTeX generated files 2 | */*.aux 3 | */*.log 4 | */*.out 5 | */*.blg 6 | 7 | tex/ClementiBarba2020.pdf 8 | tex/*.pdf 9 | tex/ClementiBarba2020.spl 10 | tex/ClementiBarba2020.bbl 11 | tex/ClementiBarba2020.synctex.gz 12 | tex/ClementiBarba2020.fdb_latexmk 13 | tex/ClementiBarba2020.fls 14 | 15 | .DS_Store 16 | .nbgrader.log 17 | .ipynb_checkpoints -------------------------------------------------------------------------------- /repro_packs/ellis/repro_results_plots/ellis_fig2_digit/just_peaks/fig2a_parallel_green.csv: -------------------------------------------------------------------------------- 1 | 864.8305084745763, 36.66666666666667 2 | 884.3220338983051, 25.384615384615373 3 | 911.4406779661017, 51.02564102564101 4 | 919.0677966101695, 56.66666666666667 5 | 926.271186440678, 75.8974358974359 6 | 935.1694915254237, 77.43589743589743 7 | 952.542372881356, 69.74358974358974 8 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_results_plots/ellis_fig2_digit/just_peaks/fig2b_perp_green.csv: -------------------------------------------------------------------------------- 1 | 883.9270157777562, 0.5498015680960009 2 | 908.653566934469, 64.00348465782591 3 | 924.14093504985, 22.024973381086014 4 | 932.7267447488142, 19.60313619204331 5 | 943.500145194076, 49.55183428516111 6 | 955.5464137063208, 16.875423482721857 7 | 960.5991675539638, 8.279934178685451 8 | 964.6839608943955, 7.308101829445306 9 | -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- 1 | BSD 3-Clause License 2 | 3 | Copyright (c) 2018, Barba group 4 | All rights reserved. 5 | 6 | Redistribution and use in source and binary forms, with or without 7 | modification, are permitted provided that the following conditions are met: 8 | 9 | * Redistributions of source code must retain the above copyright notice, this 10 | list of conditions and the following disclaimer. 11 | 12 | * Redistributions in binary form must reproduce the above copyright notice, 13 | this list of conditions and the following disclaimer in the documentation 14 | and/or other materials provided with the distribution. 15 | 16 | * Neither the name of the copyright holder nor the names of its 17 | contributors may be used to endorse or promote products derived from 18 | this software without specific prior written permission. 19 | 20 | THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" 21 | AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE 22 | IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE 23 | DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE 24 | FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL 25 | DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR 26 | SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER 27 | CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, 28 | OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE 29 | OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. 30 | -------------------------------------------------------------------------------- /repro_packs/rockstuhl/repro_results_plots/README.md: -------------------------------------------------------------------------------- 1 | # Reproducibility packages 2 | 3 | This directory contains the necessary information to reproduce the figures of the paper: Reproducible Validation and Replication Studies in Nanoscale Physics, in particular the results related to Rockstuhl et al. 2005. 4 | 5 | To be able to reproduce these results, the user needs Python and Jupyter notebooks. 6 | 7 | Python libraries needed: 8 | - `numpy` (used by author 1.15.4) 9 | - `scipy` (used by author 1.1.0) 10 | - `matplotlib` (used by author 3.1.0) 11 | 12 | **Notebooks description** 13 | 14 | * `19K_vs_15K_cube535nm.ipynb`: This notebook reproduce the result of the grid independence study, and saves the output pdf figure to the directory `grid_indep_fig`. The sub-directory `grid_indep_fig/original` contains the figure that was used on the paper, and you can use for comparison. 15 | * `extend_third_dir_comparison.ipynb`: This notebook reproduce the results for the consequence of extending the third direction, results of the effeect of roundness on the meshes. It saves the output pdf figures to the directory `extend_third_dir_fig14`. The sub-directory `extend_third_dir_fig14/original` contains the figure that was used on the paper, and you can use for comparison. 16 | * `figure_14ab_replication.ipynb`: This notebook reproduce the result of the replication of Figure 14 of Rockstuhl et al. 2005. It saves the output pdf figures to the directory `replication_fig14`. The sub-directory `replication_fig14/original` contains the figure that was used on the paper, and you can use for comparison. 17 | 18 | **Data-folders description** 19 | 20 | * `results_data`: It contains the secondary data from the simulations needed to perform the plots. These data are read in the notebooks to reproduce the figures for the paper. 21 | * `figure_14_rocksthul_digitized`: It contains the digitized data of Figure 14 of Rockstuhl et al.2005, used on the `figure_14ab_replication.ipynb` notebook for the replication study. 22 | 23 | -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- 1 | # Reproducible Validation and Replication Studies in Nanoscale Physics 2 | 3 | **Natalia C. Clementi, and Lorena A. Barba** 4 | 5 | Manuscript repository, including all source files for the text and reproducibility packages for all figures. 6 | 7 | > This article will appear in _Philosophical Transactions of the Royal Society A_, March 2021. 8 | > Preprint: [arXiv:2008.05414](https://arxiv.org/abs/2008.05414) 9 | 10 | ## Reproducibility package archives 11 | 12 | Clementi, Natalia C.; Barba, Lorena A. (2021): Reproducible Validation and Replication Studies in Nanoscale Physics (problem datasets for Rockstuhl et al. 2005 replication). Zenodo. https://doi.org/10.5281/zenodo.3962534 13 | 14 | Clementi, Natalia C.; Barba, Lorena A. (2021): Reproducible Validation and Replication Studies in Nanoscale Physics (problem datasets for Validation and Ellis et al.2005 replication). Zenodo. https://doi.org/10.5281/zenodo.3962584 15 | 16 | Clementi, Natalia C.; Barba, Lorena A. (2021): Reproducible Validation and Replication Studies in Nanoscale Physics (execution files). Zenodo. https://doi.org/10.5281/zenodo.3962576 17 | 18 | Clementi, Natalia C.; Barba, Lorena A. (2021): Validation and Replication Studies in Nanoscale Physics (repro results plots - Rockstuhl et al., 2005). Zenodo. https://doi.org/10.5281/zenodo.3962791 19 | 20 | Clementi, Natalia C.; Barba, Lorena A. (2021): Reproducible Validation and Replication Studies in Nanoscale Physics (repro results plots - Ellis et al., 2016). Zenodo. 21 | https://doi.org/3962797/zenodo.3962797 22 | 23 | 24 | ### LICENSE 25 | **Not all content in this repository is open source.** The Python code for creating the figures is shared under a BSD3 License. The written content in any Jupyter Notebooks is shared under a Creative Commons Attribution (CC-BY) license. 26 | But please note that _the manuscript text is not open source;_ we reserve rights to the article content, which will be submitted for publication in a journal. Only fair use applies in this case. 27 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/dielectric_data/4H-SIC_Angs_permittivity_20_32_each10.csv: -------------------------------------------------------------------------------- 1 | #wavelength [Angs] Re[epsilon] Im[epsilon] 2 | 93610.197893718 2.561100006 0.046946000 3 | 94549.547173008 2.375499964 0.050657000 4 | 95595.821255616 2.154799938 0.055266999 5 | 96576.144487278 1.933400035 0.060105000 6 | 97576.449040066 1.691200018 0.065642998 7 | 98597.741583160 1.424999952 0.072022997 8 | 99545.085180973 1.159100056 0.078704000 9 | 100610.346510032 0.836120009 0.087231003 10 | 101589.670837607 0.510399997 0.096291997 11 | 102598.968891315 0.148890004 0.106890000 12 | 103628.256599371 -0.254649997 0.119390003 13 | 104677.534050007 -0.707870007 0.134279996 14 | 105736.802821555 -1.220600009 0.152199998 15 | 106836.040114182 -1.805199981 0.174040005 16 | 107945.271771770 -2.477799892 0.201010004 17 | 109084.485626752 -3.259900093 0.234860003 18 | 110243.679054121 -4.180300236 0.278129995 19 | 111422.860311662 -5.279200077 0.334659994 20 | 112642.019925333 -6.613800049 0.410450011 21 | 113871.165521024 -8.268500328 0.515280008 22 | 115140.293214345 -10.373999600 0.666109979 23 | 116429.395518767 -13.142000200 0.894169986 24 | 117758.479040420 -16.941999440 1.262500048 25 | 119107.542254599 -22.479999540 1.914499998 26 | 120496.584350570 -31.285999300 3.235399961 27 | 121915.598369136 -47.398998260 6.575699806 28 | 123364.597906233 -85.638000490 19.629999160 29 | 124853.562670948 -218.440002400 191.580001800 30 | 126372.517789566 171.529998800 69.983001710 31 | 127931.438037271 82.702003480 12.916999820 32 | 129530.324797644 55.255001070 5.162300110 33 | 131169.190605866 42.363998410 2.761100054 34 | 132858.020551867 34.917999270 1.719300032 35 | 134576.835241316 30.076999660 1.175400019 36 | 136345.614458234 26.680000310 0.856019974 37 | 138164.349883958 24.166000370 0.652629972 38 | 140033.060526047 22.231000900 0.515120029 39 | 141951.731898567 20.695999150 0.417809993 40 | 143930.353624003 19.450000760 0.346430004 41 | 145948.961117923 18.417999270 0.292510003 42 | 148037.515184801 17.548999790 0.250790000 43 | -------------------------------------------------------------------------------- /repro_packs/rockstuhl/repro_exec_files/dielectric_data/invert_data_ascendant_order.ipynb: -------------------------------------------------------------------------------- 1 | { 2 | "cells": [ 3 | { 4 | "cell_type": "code", 5 | "execution_count": 1, 6 | "metadata": {}, 7 | "outputs": [], 8 | "source": [ 9 | "import numpy" 10 | ] 11 | }, 12 | { 13 | "cell_type": "code", 14 | "execution_count": 2, 15 | "metadata": {}, 16 | "outputs": [], 17 | "source": [ 18 | "w, er, ei = numpy.loadtxt('4H-SIC_Angs_permittivity_12-10microns.csv', \n", 19 | " unpack=True)" 20 | ] 21 | }, 22 | { 23 | "cell_type": "code", 24 | "execution_count": 3, 25 | "metadata": {}, 26 | "outputs": [], 27 | "source": [ 28 | "inverted = numpy.array([w[::-1], er[::-1], ei[::-1]]).transpose()" 29 | ] 30 | }, 31 | { 32 | "cell_type": "code", 33 | "execution_count": 4, 34 | "metadata": {}, 35 | "outputs": [ 36 | { 37 | "data": { 38 | "text/plain": [ 39 | "(175, 3)" 40 | ] 41 | }, 42 | "execution_count": 4, 43 | "metadata": {}, 44 | "output_type": "execute_result" 45 | } 46 | ], 47 | "source": [ 48 | "numpy.shape(inverted)" 49 | ] 50 | }, 51 | { 52 | "cell_type": "code", 53 | "execution_count": 5, 54 | "metadata": {}, 55 | "outputs": [], 56 | "source": [ 57 | "numpy.savetxt('4H-SIC_permittivity_10-12_microns.csv',\n", 58 | " inverted, delimiter= ' ', fmt='%.9f %.9f %.9f')" 59 | ] 60 | }, 61 | { 62 | "cell_type": "code", 63 | "execution_count": null, 64 | "metadata": {}, 65 | "outputs": [], 66 | "source": [] 67 | } 68 | ], 69 | "metadata": { 70 | "kernelspec": { 71 | "display_name": "Python 3", 72 | "language": "python", 73 | "name": "python3" 74 | }, 75 | "language_info": { 76 | "codemirror_mode": { 77 | "name": "ipython", 78 | "version": 3 79 | }, 80 | "file_extension": ".py", 81 | "mimetype": "text/x-python", 82 | "name": "python", 83 | "nbconvert_exporter": "python", 84 | "pygments_lexer": "ipython3", 85 | "version": "3.6.7" 86 | } 87 | }, 88 | "nbformat": 4, 89 | "nbformat_minor": 2 90 | } 91 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_results_plots/README.md: -------------------------------------------------------------------------------- 1 | # Reproducibility packages 2 | 3 | This directory contains the necessary information to reproduce the figures of the paper: Reproducible Validation and Replication Studies in Nanoscale Physics, in particular the results related to Ellis et al. 2016. 4 | 5 | To be able to reproduce these results, the user needs Python and Jupyter notebooks. 6 | 7 | Python libraries needed: 8 | - `numpy` (used by author 1.15.4) 9 | - `scipy` (used by author 1.1.0) 10 | - `matplotlib` (used by author 3.1.0) 11 | 12 | **Notebooks description** 13 | 14 | * `AR_normal_vs_22deg.ipynb`: This notebook reproduce the result to extract the $E^{\parallel}_{100}$ mode for the different aspect ratios. It produces 15 | the `AR_lower_modes.txt` file needed for the replication result of Figure S4 of Ellis et al. The original `AR_lower_modes.txt` file is under the `AR_rep_val_figs/original` directory, for comparison. This notebook also saves the output pdf figure to the directory `AR_rep_val_figs`. The sub-directory `AR_rep_val_figs/original` contains the figure that was used on the paper, and you can use for comparison as well. 16 | * `figureS4_Ellis2016_replication_curves_AR.ipynb`: This notebook reproduce the result of the replication of Figure S4 of the supplementary material of of Ellis et al. 2016. It saves the output pdf figures to the directory `AR_rep_val_figs`. The sub-directory `AR_rep_val_figs/original` contains the figure that was used on the paper, and you can use for comparison. 17 | * `figure2a_Ellis2016_replication.ipynb`: This notebook reproduce the result of the validation and replication of Figure 2a of Ellis et al. 2016. It saves the output pdf figures to the directory `AR_rep_val_figs`. The sub-directory `AR_rep_val_figs/original` contains the figure that was used on the paper, and you can use for comparison. 18 | 19 | 20 | **Data-folders description** 21 | 22 | * `results_data`: It contains the secondary data from the simulations needed to perform the plots. These data are read in the notebooks to reproduce the figures for the paper. 23 | * `ellis_figS4_digit`: It contains the digitized data of Figure S4 of the supplementary material of Ellis et al.2016, used on the `figureS4_Ellis2016_replication_curves_AR.ipynb` notebook for the replication study. 24 | * `ellis_fig2_digit`: It contains the digitized data of Figure 2a of Ellis et al.2016, used on the `figure2a_Ellis2016_replication.ipynb` notebook for validation and the replication study. 25 | -------------------------------------------------------------------------------- /repro_packs/rockstuhl/repro_exec_files/scripts/cext_wave_cube_15K.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_permittivity_10-12_microns.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'cube_535nm' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'cube_15K.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/cube_535nm_res/'+'cube_15K'+'10-20microns.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.9f %.9f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/cube_535nm_res/Time_'+'cube_15K'+'.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/rockstuhl/repro_exec_files/scripts/cext_wave_cube_19K.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_permittivity_10-12_microns.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'cube_535nm' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'cube_19K.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/cube_535nm_res/'+'cube_19K'+'10-20microns.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.9f %.9f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/cube_535nm_res/Time_'+'cube_19K'+'.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/scripts/cext_wave_iso_pillar_AR1.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_Angs_permittivity_800-1000cm-1.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'AR_1' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'iso_pillar.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/iso_pillar_AR/'+'iso_pillar_AR_1'+'_800-1000cm-1_in_ang.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.5f %.5f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/iso_pillar_AR/Time_'+'iso_pillar_AR_1'+'_800-1000cm-1.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/scripts/cext_wave_iso_pillar_AR2.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_Angs_permittivity_800-1000cm-1.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'AR_2' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'iso_pillar.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/iso_pillar_AR/'+'iso_pillar_AR_2'+'_800-1000cm-1_in_ang.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.5f %.5f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/iso_pillar_AR/Time_'+'iso_pillar_AR_2'+'_800-1000cm-1.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/scripts/cext_wave_iso_pillar_AR3.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_Angs_permittivity_800-1000cm-1.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'AR_3' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'iso_pillar.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/iso_pillar_AR/'+'iso_pillar_AR_3'+'_800-1000cm-1_in_ang.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.5f %.5f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/iso_pillar_AR/Time_'+'iso_pillar_AR_3'+'_800-1000cm-1.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/scripts/cext_wave_iso_pillar_AR4.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_Angs_permittivity_800-1000cm-1.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'AR_4' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'iso_pillar.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/iso_pillar_AR/'+'iso_pillar_AR_4'+'_800-1000cm-1_in_ang.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.5f %.5f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/iso_pillar_AR/Time_'+'iso_pillar_AR_4'+'_800-1000cm-1.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/scripts/cext_wave_iso_pillar_AR5.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_Angs_permittivity_800-1000cm-1.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'AR_5' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'iso_pillar.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/iso_pillar_AR/'+'iso_pillar_AR_5'+'_800-1000cm-1_in_ang.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.5f %.5f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/iso_pillar_AR/Time_'+'iso_pillar_AR_5'+'_800-1000cm-1.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/scripts/cext_wave_iso_pillar_AR6.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_Angs_permittivity_800-1000cm-1.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'AR_6' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'iso_pillar.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/iso_pillar_AR/'+'iso_pillar_AR_6'+'_800-1000cm-1_in_ang.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.5f %.5f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/iso_pillar_AR/Time_'+'iso_pillar_AR_6'+'_800-1000cm-1.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/scripts/cext_wave_iso_pillar_AR7.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_Angs_permittivity_800-1000cm-1.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'AR_7' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'iso_pillar.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/iso_pillar_AR/'+'iso_pillar_AR_7'+'_800-1000cm-1_in_ang.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.5f %.5f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/iso_pillar_AR/Time_'+'iso_pillar_AR_7'+'_800-1000cm-1.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/rockstuhl/repro_exec_files/scripts/cext_wave_prism_34K_LE.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_permittivity_10-12_microns.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'prism3280x26880x6720_LE' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'prism_34K.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/prism_SE_LE_res/'+'prism_34K_long_edge'+'10-20microns.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.9f %.9f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/prism_SE_LE_res/Time_'+'prism_34K_long_edge'+'.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/rockstuhl/repro_exec_files/scripts/cext_wave_prism_34K_SE.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_permittivity_10-12_microns.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'prism6720x26880x3280_SE' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'prism_34K.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/prism_SE_LE_res/'+'prism_34K_short_edge'+'10-20microns.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.9f %.9f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/prism_SE_LE_res/Time_'+'prism_34K_short_edge'+'.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/extra/scripts/cext_wave_iso_pillar_long_edge.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../../dielectric_data/4H-SIC_Angs_permittivity_800-1000cm-1.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'iso_pillar_long_edge' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'iso_pillar.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/iso_pillar/'+'iso_pillar_long_edge'+'20-32Hz_in_ang.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.5f %.5f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/iso_pillar/Time_'+'iso_pillar_long_edge'+'.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/scripts/cext_wave_iso_pillar_AR1_22.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_Angs_permittivity_800-1000cm-1.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'AR_1' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'iso_pillar.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/iso_pillar_AR_22deg/'+'iso_pillar_AR_1_22deg'+'_800-1000cm-1_in_ang.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.5f %.5f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/iso_pillar_AR_22deg/Time_'+'iso_pillar_AR_1_22deg'+'_800-1000cm-1.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/scripts/cext_wave_iso_pillar_AR2_22.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_Angs_permittivity_800-1000cm-1.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'AR_2' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'iso_pillar.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/iso_pillar_AR_22deg/'+'iso_pillar_AR_2_22deg'+'_800-1000cm-1_in_ang.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.5f %.5f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/iso_pillar_AR_22deg/Time_'+'iso_pillar_AR_2_22deg'+'_800-1000cm-1.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/scripts/cext_wave_iso_pillar_AR3_22.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_Angs_permittivity_800-1000cm-1.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'AR_3' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'iso_pillar.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/iso_pillar_AR_22deg/'+'iso_pillar_AR_3_22deg'+'_800-1000cm-1_in_ang.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.5f %.5f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/iso_pillar_AR_22deg/Time_'+'iso_pillar_AR_3_22deg'+'_800-1000cm-1.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/scripts/cext_wave_iso_pillar_AR4_22.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_Angs_permittivity_800-1000cm-1.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'AR_4' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'iso_pillar.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/iso_pillar_AR_22deg/'+'iso_pillar_AR_4_22deg'+'_800-1000cm-1_in_ang.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.5f %.5f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/iso_pillar_AR_22deg/Time_'+'iso_pillar_AR_4_22deg'+'_800-1000cm-1.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/scripts/cext_wave_iso_pillar_AR5_22.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_Angs_permittivity_800-1000cm-1.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'AR_5' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'iso_pillar.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/iso_pillar_AR_22deg/'+'iso_pillar_AR_5_22deg'+'_800-1000cm-1_in_ang.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.5f %.5f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/iso_pillar_AR_22deg/Time_'+'iso_pillar_AR_5_22deg'+'_800-1000cm-1.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/scripts/cext_wave_iso_pillar_AR6_22.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_Angs_permittivity_800-1000cm-1.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'AR_6' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'iso_pillar.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/iso_pillar_AR_22deg/'+'iso_pillar_AR_6_22deg'+'_800-1000cm-1_in_ang.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.5f %.5f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/iso_pillar_AR_22deg/Time_'+'iso_pillar_AR_6_22deg'+'_800-1000cm-1.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/scripts/cext_wave_iso_pillar_AR7_22.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_Angs_permittivity_800-1000cm-1.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'AR_7' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'iso_pillar.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/iso_pillar_AR_22deg/'+'iso_pillar_AR_7_22deg'+'_800-1000cm-1_in_ang.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.5f %.5f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/iso_pillar_AR_22deg/Time_'+'iso_pillar_AR_7_22deg'+'_800-1000cm-1.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/rockstuhl/repro_exec_files/scripts/cext_wave_prism_36K_LE.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_permittivity_10-12_microns.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'prism_328x1344x672nm_LE' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'prism_36K.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/prism_672x1344x328nm_res/'+'prism_36K_long_edge'+'10-20microns.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.9f %.9f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/prism_672x1344x328nm_res/Time_'+'prism_36K_long_edge'+'.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/rockstuhl/repro_exec_files/scripts/cext_wave_prism_36K_SE.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_permittivity_10-12_microns.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'prism_672x1344x328nm_SE' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'prism_36K.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/prism_672x1344x328nm_res/'+'prism_36K_short_edge'+'10-20microns.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.9f %.9f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/prism_672x1344x328nm_res/Time_'+'prism_36K_short_edge'+'.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/scripts/cext_wave_iso_pillar_AR4_22orig_LE.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_Angs_permittivity_800-1000cm-1.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'AR4_LE' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'iso_pillar.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/iso_pillar_AR4_22/'+'iso_pillar_AR4_22_LE'+'_800-1000cm-1_in_ang.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.5f %.5f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/iso_pillar_AR4_22/Time_'+'iso_pillar_AR4_22_LE'+'_800-1000cm-1.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/scripts/cext_wave_iso_pillar_AR4_22orig_SE.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_Angs_permittivity_800-1000cm-1.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'AR4_SE' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'iso_pillar.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/iso_pillar_AR4_22/'+'iso_pillar_AR4_22_SE'+'_800-1000cm-1_in_ang.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.5f %.5f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/iso_pillar_AR4_22/Time_'+'iso_pillar_AR4_22_SE'+'_800-1000cm-1.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/rockstuhl/repro_exec_files/scripts/cext_wave_prism_reg_38K_LE.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_permittivity_10-12_microns.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'prism_reg_LE' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'prism_reg_38K.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/prism_regular_SE_LE_res/'+'prism_reg_38K_long_edge'+'10-20microns.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.9f %.9f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/prism_regular_SE_LE_res/Time_'+'prism_reg_38K_long_edge'+'.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/rockstuhl/repro_exec_files/scripts/cext_wave_prism_reg_38K_SE.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_permittivity_10-12_microns.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'prism_reg_SE' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'prism_reg_38K.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/prism_regular_SE_LE_res/'+'prism_reg_38K_short_edge'+'10-20microns.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.9f %.9f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/prism_regular_SE_LE_res/Time_'+'prism_reg_38K_short_edge'+'.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/rockstuhl/repro_exec_files/scripts/cext_wave_prism_reg_36K_LE_y13K.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_permittivity_10-12_microns.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'prism_reg_LE_y13K' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'prism_reg_36K.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/prism_regular_SE_LE_res/'+'prism_reg_36K_LE_y13K'+'10-20microns.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.9f %.9f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/prism_regular_SE_LE_res/Time_'+'prism_reg_36K_LE_y13K'+'.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/rockstuhl/repro_exec_files/scripts/cext_wave_prism_reg_36K_SE_y13K.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_permittivity_10-12_microns.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'prism_reg_SE_y13K' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'prism_reg_36K.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/prism_regular_SE_LE_res/'+'prism_reg_36K_SE_y13K'+'10-20microns.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.9f %.9f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/prism_regular_SE_LE_res/Time_'+'prism_reg_36K_SE_y13K'+'.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/extra/scripts/cext_wave_iso_pillar_long_edge_reg.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../../dielectric_data/4H-SIC_Angs_permittivity_800-1000cm-1.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'iso_pillar_long_edge_reg_mesh' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'iso_pillar.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/iso_pillar_reg/'+'iso_pillar_long_edge'+'_800-1000cm-1_in_ang.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.5f %.5f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/iso_pillar_reg/Time_'+'iso_pillar_long_edge'+'_800-1000cm-1.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/rockstuhl/repro_exec_files/scripts/cext_wave_prism_round_reg_38K_LE.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_permittivity_10-12_microns.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'prism_reg_round_LE' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'prism_reg_38K.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/prism_round_reg_SE_LE_res/'+'prism_round_reg_38K_long_edge'+'10-20microns.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.9f %.9f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/prism_round_reg_SE_LE_res/Time_'+'prism_round_reg_38K_long_edge'+'.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/extra/scripts/cext_wave_iso_pillar_long_edge_round_8K.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../../dielectric_data/4H-SIC_Angs_permittivity_800-1000cm-1.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'iso_pillar_LE_round_8K' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'iso_pillar.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/iso_pillar_round/'+'iso_pillar_long_edge'+'_800-1000cm-1_in_ang.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.5f %.5f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/iso_pillar_round/Time_'+'iso_pillar_long_edge'+'_800-1000cm-1.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/rockstuhl/repro_exec_files/scripts/cext_wave_prism_round_reg_38K_SE.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../dielectric_data/4H-SIC_permittivity_10-12_microns.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'prism_reg_round_SE' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'prism_reg_38K.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/prism_round_reg_SE_LE_res/'+'prism_round_reg_38K_short_edge'+'10-20microns.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.9f %.9f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/prism_round_reg_SE_LE_res/Time_'+'prism_round_reg_38K_short_edge'+'.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/extra/scripts/cext_wave_iso_pillar_long_edge_round_4K.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import time 3 | import sys 4 | import os 5 | from argparse import ArgumentParser 6 | 7 | import pygbe 8 | from pygbe.util.read_data import read_fields 9 | from pygbe.main import main 10 | 11 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 12 | 13 | 14 | def read_inputs(args): 15 | """ 16 | Parse command-line arguments to read arguments in main. 17 | """ 18 | 19 | parser = ArgumentParser(description='Read path where input files are located') 20 | parser.add_argument('-if', 21 | '--infiles', 22 | type=str, 23 | help="Absolute path where input files are located (downloaded from zenodo)") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | 29 | def main(argv=sys.argv): 30 | 31 | argv=sys.argv 32 | args = read_inputs(argv[1:]) 33 | 34 | in_files_path = args.infiles 35 | 36 | #Import surface data 37 | wave_s, diel_rs, diel_is = numpy.loadtxt('../../dielectric_data/4H-SIC_Angs_permittivity_800-1000cm-1.csv', skiprows=1, unpack=True) 38 | 39 | air_diel = [1. + 1j*0.] * len(wave_s) 40 | #Creating dielectric list first dielectric outside, then inside 41 | diel_list = [list(eps) for eps in zip(air_diel, diel_rs + 1j*diel_is)] 42 | 43 | #Set enviornment variable for PyGBe 44 | folder_path = in_files_path + 'iso_pillar_LE_round_4K' 45 | full_path = os.path.abspath(folder_path)+'/' 46 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 47 | 48 | #Creating dictionary field. We will modify the 'E' key in the for loop. 49 | field_dict_pillars = read_fields(full_path + 'iso_pillar.config') 50 | 51 | 52 | #Calculate Cext(lambda) for pillars' surface 53 | tic_ss = time.time() 54 | e_field = -1. 55 | wave, Cext_pillars = Cext_wave_scan(e_field, wave_s, diel_list, field_dict_pillars, full_path) 56 | toc_ss = time.time() 57 | 58 | 59 | 60 | numpy.savetxt('../results_data/iso_pillar_round/'+'iso_pillar_long_edge_4K'+'_800-1000cm-1_in_ang.txt', 61 | list(zip(wave, Cext_pillars)), 62 | fmt = '%.5f %.5f', 63 | header = 'lambda [Ang], Cext [nm^2]') 64 | 65 | time_simulation = (toc_ss - tic_ss) 66 | 67 | with open('../results_data/iso_pillar_round/Time_'+'iso_pillar_long_edge_4K'+'_800-1000cm-1.txt', 'w') as f: 68 | print('time_total: {} s'.format(time_simulation), file=f) 69 | 70 | if __name__ == "__main__": 71 | main(sys.argv) 72 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/scripts/cext_wavelength_scanning.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import pygbe 3 | from pygbe.lspr import main 4 | 5 | def create_diel_list(n_out, k_out, n_in, k_in): 6 | '''Returns the dielectric constant list. Each element contains the 7 | field('E') for the respective wavelength. i.e each element is a list 8 | of the dielectric constant of each region. 9 | 10 | Arguments: 11 | ---------- 12 | n_out : array, real part of refractive index in the outside region. 13 | k_out : array, imaginary part of refractive index in the outside region. 14 | n_in : array, real part of refractive index in the inside region. 15 | k_in : array, imaginary part of refractive index in the inside region. 16 | 17 | Returns: 18 | -------- 19 | diel_out : complex/array of complex, dielectric constant inside surface. 20 | diel_in : complex/array of complex, dielectric constant inside surface. 21 | diel_list: list, dielectric constant list. 22 | ''' 23 | 24 | refrac_out = n_out + 1j * k_out 25 | refrac_in = n_in + 1j * k_in 26 | 27 | diel_out = refrac_out * refrac_out 28 | diel_in = refrac_in * refrac_in 29 | 30 | diel_list = [list(eps) for eps in zip(diel_out, diel_in)] 31 | 32 | return diel_out, diel_in, diel_list 33 | 34 | 35 | def Cext_wave_scan(elec_field, wavelength, diel, field_dict, example_folder_path): 36 | 37 | '''Computes the extinction cross section using PyGBe for different 38 | wavelength and associated dielectric constants. 39 | 40 | Arguments: 41 | ---------- 42 | wavelength : array/list, wavelengths we want to scan. 43 | diel : list, each element contains the field('E') for the 44 | respective wavelength. i.e each element is a list 45 | of the dielectric constant of each region. 46 | field_dict : dictionary, config dictionary. 47 | example_folder_path: str, path to the example folder relative to wherever 48 | the interpreter was started. 49 | 50 | Returns: 51 | -------- 52 | Cext_wave : list, list of cross extinction sections. 53 | ''' 54 | 55 | Cext_wave = [] 56 | wave_diel = list(zip(wavelength, diel)) 57 | 58 | for wave, E in wave_diel: 59 | field_dict['E'] = E 60 | results = main(['', example_folder_path], return_results_dict=True, 61 | field=field_dict, 62 | lspr_values=(elec_field, wave)) 63 | Cext_wave.append(results['Cext_0']) 64 | 65 | 66 | return wavelength, Cext_wave 67 | 68 | 69 | def Cext_analytical(radius, wavelength, diel_out, diel_in): 70 | '''Calculates the analytical solution of the extinction cross section. 71 | This solution is valid when the nano particle involved is a sphere. 72 | 73 | Arguments: 74 | ---------- 75 | radius : float, radius of the sphere in [nm]. 76 | wavelength: float/array of floats, wavelength of the incident 77 | electric field in [nm]. 78 | diel_out : complex/array of complex, dielectric constant inside surface. 79 | diel_in : complex/array of complex, dielectric constant inside surface. 80 | 81 | Returns: 82 | -------- 83 | Cext_an : float/array of floats, extinction cross section. 84 | 85 | ''' 86 | wavenumber = 2*numpy.pi*numpy.sqrt(diel_out)/wavelength 87 | C1 = wavenumber**2*(diel_in/diel_out-1)/(diel_in/diel_out+2) 88 | Cext_an = 4*numpy.pi*radius**3/wavenumber.real * C1.imag 89 | 90 | return Cext_an 91 | -------------------------------------------------------------------------------- /repro_packs/rockstuhl/repro_exec_files/scripts/cext_wavelength_scanning.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import pygbe 3 | from pygbe.lspr import main 4 | 5 | def create_diel_list(n_out, k_out, n_in, k_in): 6 | '''Returns the dielectric constant list. Each element contains the 7 | field('E') for the respective wavelength. i.e each element is a list 8 | of the dielectric constant of each region. 9 | 10 | Arguments: 11 | ---------- 12 | n_out : array, real part of refractive index in the outside region. 13 | k_out : array, imaginary part of refractive index in the outside region. 14 | n_in : array, real part of refractive index in the inside region. 15 | k_in : array, imaginary part of refractive index in the inside region. 16 | 17 | Returns: 18 | -------- 19 | diel_out : complex/array of complex, dielectric constant inside surface. 20 | diel_in : complex/array of complex, dielectric constant inside surface. 21 | diel_list: list, dielectric constant list. 22 | ''' 23 | 24 | refrac_out = n_out + 1j * k_out 25 | refrac_in = n_in + 1j * k_in 26 | 27 | diel_out = refrac_out * refrac_out 28 | diel_in = refrac_in * refrac_in 29 | 30 | diel_list = [list(eps) for eps in zip(diel_out, diel_in)] 31 | 32 | return diel_out, diel_in, diel_list 33 | 34 | 35 | def Cext_wave_scan(elec_field, wavelength, diel, field_dict, example_folder_path): 36 | 37 | '''Computes the extinction cross section using PyGBe for different 38 | wavelength and associated dielectric constants. 39 | 40 | Arguments: 41 | ---------- 42 | wavelength : array/list, wavelengths we want to scan. 43 | diel : list, each element contains the field('E') for the 44 | respective wavelength. i.e each element is a list 45 | of the dielectric constant of each region. 46 | field_dict : dictionary, config dictionary. 47 | example_folder_path: str, path to the example folder relative to wherever 48 | the interpreter was started. 49 | 50 | Returns: 51 | -------- 52 | Cext_wave : list, list of cross extinction sections. 53 | ''' 54 | 55 | Cext_wave = [] 56 | wave_diel = list(zip(wavelength, diel)) 57 | 58 | for wave, E in wave_diel: 59 | field_dict['E'] = E 60 | results = main(['', example_folder_path], return_results_dict=True, 61 | field=field_dict, 62 | lspr_values=(elec_field, wave)) 63 | Cext_wave.append(results['Cext_0']) 64 | 65 | 66 | return wavelength, Cext_wave 67 | 68 | 69 | def Cext_analytical(radius, wavelength, diel_out, diel_in): 70 | '''Calculates the analytical solution of the extinction cross section. 71 | This solution is valid when the nano particle involved is a sphere. 72 | 73 | Arguments: 74 | ---------- 75 | radius : float, radius of the sphere in [nm]. 76 | wavelength: float/array of floats, wavelength of the incident 77 | electric field in [nm]. 78 | diel_out : complex/array of complex, dielectric constant inside surface. 79 | diel_in : complex/array of complex, dielectric constant inside surface. 80 | 81 | Returns: 82 | -------- 83 | Cext_an : float/array of floats, extinction cross section. 84 | 85 | ''' 86 | wavenumber = 2*numpy.pi*numpy.sqrt(diel_out)/wavelength 87 | C1 = wavenumber**2*(diel_in/diel_out-1)/(diel_in/diel_out+2) 88 | Cext_an = 4*numpy.pi*radius**3/wavenumber.real * C1.imag 89 | 90 | return Cext_an 91 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/README.MD: -------------------------------------------------------------------------------- 1 | # Reproducibility execution files 2 | 3 | This directory contains four folders with executions files to reproduce the data for the article: Reproducible Validation and Replication Studies in Nanoscale Physics, in particular the results related to Ellis et al. 2016. 4 | 5 | - To be able to run the scripts, the user needs to: 6 | 7 | 1. Install PyGBe. 8 | Installation can be done from source or with a Docker file. The Docker file and installation instructions are available in the GitHub software repository https://github.com/pygbe/pygbe 9 | 10 | 1. Download input data files from the Zenodo deposit (DOI: 10.5281/zenodo.3962584) and extract in the desired location. (If using a Docker container, the data should be available inside the container.) 11 | 12 | **Important note**: 13 | 1. When passing the path of the input problem folder to run the scripts, the path must end in `/`: 14 | For example: if `pygbe_ellis_problems` was downloaded in the directory 15 | 16 | `home/Downloads`, then the path will be: 17 | 18 | `home/Downloads/pygbe_ellis_problems/` 19 | 20 | 2. All the files generated by `PyGBe` after running each problem will be saved to `problem_folder/output`. 21 | The output data will be post-processed on-the-fly, and the secondary data saved in your execution folder. 22 | You can safely delete the output folder. 23 | 24 | ## Directories content description. 25 | 26 | * `dielectric_data`: It contains the dielectric data of the Silicon Carbide pillars needed to perform the simulations. 27 | * `results_data`: It contains the folders with the secondary data generated when running the simulation, each directory contains a sub-directory called `original` that contains the data used for the results on the paper. 28 | * `scripts`: It contains all the scripts needed to run the simulations, that created the data used in the results of the paper. 29 | * `extra`: It contains a subdirectory with `scripts` and a subdirectory `results_data`, to produce results that helped to decide the mesh density of the uniform meshes. This results were not part of the paper as plots, but the information was mentioned in it. The input files to run these extra cases are in under a subdirectory called `extra` in the `pygbe_ellis_problems/` archive. 30 | 31 | To reproduce a certain result the user should be in the directory scripts and run the following shell command: 32 | 33 | `$ python case_you_want_to_run.py -if full_path_where_input_problem_folder_is_located` 34 | 35 | **Description of scripts** 36 | 37 | * `cext_wavelength_scanning.py`: This script is an auxiliary script used by the remaining scripts on this directory. 38 | 39 | * `cext_wave_iso_pillar_ARn.py` where `n` goes from 1-7: These scripts are the ones that produce the curves for the Aspect Ratio study in the case of normal incidence. The input needed to run this cases are located under `pygbe_ellis_problems/AR_analysis/`. The secondary data of these runs will be saved under `results_data/iso_pillar_AR`. 40 | 41 | * `cext_wave_iso_pillar_ARn_22.py` where `n` goes from 1-7: These scripts are the ones that produce the curves for the Aspect Ratio study in the case of 22 degree incidence. The input needed to run this cases are located under `pygbe_ellis_problems/AR_analysis_22deg/`. The secondary data of these runs will be saved under `results_data/iso_pillar_AR_22deg`. 42 | 43 | * `cext_wave_iso_pillar_AR4_22orig_LE.py` and `cext_wave_iso_pillar_AR4_22orig_SE.py`: The script of the `LE` orientation is the one used to produced the data for validation and replication of Figure 2a of Ellis et al. 2016 presented in the paper. The script of the `SE` orientation computes the case where the polarization is normal, this is an extra case. The input needed to run this cases are located under `pygbe_ellis_problems/AR4_orig_22deg/`. The secondary data of these runs will be saved under `results_data/iso_pillar_AR4_22`. 44 | 45 | 46 | -------------------------------------------------------------------------------- /repro_packs/rockstuhl/repro_results_plots/figure_14_rocksthul_digitized/long_edge.csv: -------------------------------------------------------------------------------- 1 | 10.28114711570209, 0.008405263902646176 2 | 10.313202207443046, 0.01056553936135085 3 | 10.341502759303808, 0.010707042120654764 4 | 10.371708881656527, 0.008858072732418343 5 | 10.401858402905525, 0.013008820338663352 6 | 10.422555539833027, 0.01911230602330094 7 | 10.441403707372295, 0.02120654686099699 8 | 10.458440639592473, 0.015291731522098173 9 | 10.475458704778077, 0.011376821848025909 10 | 10.500004716758644, 0.009499551907928838 11 | 10.522645158247252, 0.00961275411537188 12 | 10.541512192821093, 0.009707089288241155 13 | 10.564133767275129, 0.011820197160511192 14 | 10.582963067779822, 0.015914343663034902 15 | 10.605584642233858, 0.01802745153530494 16 | 10.630074053110702, 0.022149898589689077 17 | 10.650752323003632, 0.030253289939154104 18 | 10.667638318947219, 0.04033771991887192 19 | 10.68635441724447, 0.05643130041035804 20 | 10.701315975661526, 0.07050610820244319 21 | 10.714371963586624, 0.08657138814206866 22 | 10.725484646950616, 0.10862695155888846 23 | 10.734710626857224, 0.13067308145842182 24 | 10.743936606763832, 0.15271921135795474 25 | 10.74933257865195, 0.18074619121739532 26 | 10.754785151643791, 0.20277345408235448 27 | 10.760199990566482, 0.22880052827696784 28 | 10.765652563558323, 0.2508277911419272 29 | 10.769161831989058, 0.2788453374840807 30 | 10.770803263996982, 0.3048535446441204 31 | 10.774350266496864, 0.3288712796566198 32 | 10.777840667893024, 0.3588887316636007 33 | 10.779500966935522, 0.38289703315881307 34 | 10.78302910240083, 0.40891467383613966 35 | 10.784689401443327, 0.43292297533135204 36 | 10.78799113249375, 0.48293948398660413 37 | 10.788236403943209, 0.45694071034385153 38 | 10.789632564501675, 0.5089476911466438 39 | 10.791273996509599, 0.5349558983066836 40 | 10.792915428517523, 0.560964105466723 41 | 10.796160558464223, 0.6169803311164566 42 | 10.79638696287911, 0.592981463138531 43 | 10.797820857506721, 0.640988632611669 44 | 10.799481156549218, 0.6649969341068815 45 | 10.80110372152257, 0.6930050469317481 46 | 10.802688552426773, 0.7250129710862693 47 | 10.806197820857506, 0.7530305174284229 48 | 10.807820385830857, 0.7810386302532897 49 | 10.80940521673506, 0.8130465544078106 50 | 10.811008914673836, 0.8430545728975045 51 | 10.812574878543465, 0.8770624027168527 52 | 10.814159709447667, 0.9090703268713737 53 | 10.815763407386443, 0.9390783453610676 54 | 10.8173105042215, 0.9750860808452428 55 | 10.820819772652232, 1.0031036271873965 56 | 10.832422998915145, 0.9731616433187109 57 | 10.842082920616951, 0.94920994292722 58 | 10.8461582000849, 0.9172303193245598 59 | 10.848346776095466, 0.8852412622046126 60 | 10.850535352106032, 0.8532522050846655 61 | 10.85072402245177, 0.8332531484363942 62 | 10.852780529220318, 0.8152634309702369 63 | 10.85298806660063, 0.7932644686571384 64 | 10.855063440403754, 0.7732748455261541 65 | 10.859100985802556, 0.7452950332531482 66 | 10.861251827743974, 0.7173057874628552 67 | 10.861572567331729, 0.683307391160794 68 | 10.86374227630772, 0.6533182397056739 69 | 10.867779821706522, 0.625338427432668 70 | 10.870006131786235, 0.5893495589830665 71 | 10.874081411254185, 0.5573699353804064 72 | 10.878175557756709, 0.523390406112919 73 | 10.882250837224658, 0.4914107825102587 74 | 10.884439413235224, 0.45942172539031156 75 | 10.888533559737748, 0.4254421961228242 76 | 10.892589972171123, 0.39546247818499103 77 | 10.898495353992736, 0.3694920050940992 78 | 10.900665062968727, 0.33950285363897903 79 | 10.90460827319466, 0.32152256969010884 80 | 10.906683646997783, 0.3015329465591243 81 | 10.916419036837883, 0.2695816235083248 82 | 10.922381019763218, 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/repro_packs/rockstuhl/repro_exec_files/README.MD: -------------------------------------------------------------------------------- 1 | # Reproducibility execution files 2 | 3 | This directory contains four folders with executions files to reproduce the data for the article: Reproducible Validation and Replication Studies in Nanoscale Physics, in particular the results related to Rockstuhl et al. 2005. 4 | 5 | - To be able to run the scripts, the user needs to: 6 | 7 | 1. Install PyGBe. 8 | Installation can be done from source or with a Docker file. The Docker file and installation instructions are available in the GitHub software repository https://github.com/pygbe/pygbe 9 | 10 | 1. Download input data files from the Zenodo deposit (DOI: 10.5281/zenodo.3962534) and extract in the desired location. (If using a Docker container, the data should be available inside the container.) 11 | 12 | **Important note**: 13 | 1. When passing the path of the input problem folder to run the scripts, the path must end in `/`: 14 | For example: if `pygbe_rockstuhl_problems` was downloaded in the directory 15 | 16 | `home/Downloads`, then the path will be: 17 | 18 | `home/Downloads/pygbe_rockstuhl_problems/` 19 | 20 | 2. All the files generated by `PyGBe` after running each problem will be saved to `problem_folder/output`. 21 | The output data will be post-processed on-the-fly, and the secondary data saved in your execution folder. 22 | You can safely delete the output folder. 23 | 24 | ## Directories content description. 25 | 26 | * `dielectric_data`: It contains the dielectric data of the Silicon Carbide pillars needed to perform the simulations. 27 | * `results_data`: It contains the folders with the secondary data generated when running the simulation, each directory contains a sub-directory called `original` that contains the data used for the results on the paper. 28 | * `scripts`: It contains all the scripts needed to run the simulations, that created the data used in the results of the paper. 29 | 30 | To reproduce a certain result the user should be in the directory scripts and run the following shell command: 31 | 32 | `$ python case_you_want_to_run.py -if full_path_where_input_problem_folder_is_located` 33 | 34 | **Description of scripts** 35 | 36 | * `cext_wavelength_scanning.py`: This script is an auxiliary script used by the remaining scripts on this directory. 37 | 38 | * `cext_wave_cube_15K.py` and `cext_wave_cube_19K.py`: This scripts are the ones that produce the curves for the grid independence study. The input needed to run this cases are located under `pygbe_rockstuhl_problems/cube_535/`. The secondary data of these runs will be saved under `results_data/cube_535nm_res`. 39 | 40 | * `cext_wave_prism_36K_LE.py` and `cext_wave_prism_36K_SE.py`: This scripts are the ones that produce the curves for the rectangular prism of length $y=1344$ nm, that use a mesh generated with Trimesh. The input needed to run this cases are located under `pygbe_rockstuhl_problems/trimesh_mesh_files`. The secondary data of these runs will be saved under `results_data/prism_672x1344x328nm_res`. 41 | 42 | * `cext_wave_prism_34K_LE.py` and `cext_wave_prism_34K_SE.py`: This scripts are the ones that produce the curves for the rectangular prism of length $y=2688$ nm, that use a mesh generated with Trimesh. The input needed to run this cases are located under `pygbe_rockstuhl_problems/trimesh_mesh_files`. 43 | The secondary data of these runs will be saved under `results_data/prism_SE_LE_res`. 44 | 45 | * `cext_wave_prism_reg_36K_LE_y13K.py` and `cext_wave_prism_reg_36K_SE_y13K.py`: This scripts are the ones that produced curves for the rectangular prism of length $y=1344$ nm, that use a mesh generated a uniform mesh generated by our python script. The input needed to run this cases are located under `pygbe_rockstuhl_problems/reg_mesh_files/` along with a notebook that generate that shows how to generate the meshes. The secondary data of these runs will be saved under `results_data/prism_regular_SE_LE_res`. 46 | 47 | * `cext_wave_prism_reg_38K_LE.py` and `cext_wave_prism_reg_38K_SE.py`: This scripts are the ones that produced curves for the rectangular prism of length $y=2688$ nm, that use a mesh generated a uniform mesh generated by our python script. The input needed to run this cases are located under `pygbe_rockstuhl_problems/reg_mesh_files/` along with a notebook that shows how to generate the meshes. The secondary data of these runs will be saved under `results_data/prism_regular_SE_LE_res`. 48 | 49 | * `cext_wave_prism_round_reg_38K_LE.py` and `cext_wave_prism_round_reg_38K_SE.py`: This scripts are the ones that produced curves for the rectangular prism of length $y=2688$ nm, that use a mesh generated a uniform mesh generated by our python script, and with round edges generated using Trimesh. The input needed to run this cases are located under `pygbe_rockstuhl_problems/round_reg_mesh_files/` along with a notebook that shows how to generate the meshes. The secondary data of these runs will be saved under `results_data/prism_regular_SE_LE_res`. The secondary data of these runs is also used for the final replication plots of Rockstuhl et al. 2005 on the paper. -------------------------------------------------------------------------------- /repro_packs/rockstuhl/repro_results_plots/figure_14_rocksthul_digitized/short_edge.csv: -------------------------------------------------------------------------------- 1 | 10.203946448733806, -0.000043013065218699964 2 | 10.241894725522881, 0.010301629119845002 3 | 10.267853110382282, 0.018624657239636466 4 | 10.291779127910106, 0.03342115167482107 5 | 10.307683208774668, 0.05260497876229908 6 | 10.325587397171894, 0.07176729931716741 7 | 10.335501908704773, 0.08886499274154525 8 | 10.345373407172431, 0.11456529920963487 9 | 10.353244798107427, 0.14028711221033374 10 | 10.359116081509761, 0.16603043174364207 11 | 10.36497661164579, 0.1939244045378783 12 | 10.370826388515514, 0.22396903059304263 13 | 10.372708210118827, 0.2476047099306411 14 | 10.374579278455833, 0.2733910425291681 15 | 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10.571847948814455, 0.019656970804881713 84 | 10.6039356954675, 0.002107640195709415 85 | 10.63188343459326, 0.012559815043819533 86 | 10.64771224259369, 0.04679821495779324 87 | 10.655540620463468, 0.08112264100220434 88 | 10.663368998333246, 0.11544706704661523 89 | 10.667164901338783, 0.15626646593902893 90 | 10.67084251841497, 0.22074305070165057 91 | 10.670982310876932, 0.1927845583095864 92 | 10.674530888757463, 0.2830689822033443 93 | 10.674724447550945, 0.24435722350664002 94 | 10.680283886230445, 0.33246948760686057 95 | 10.682090434969624, 0.3711597397709554 96 | 10.683907736975108, 0.40769933867412234 97 | 10.691725361578582, 0.4441744179794612 98 | 10.695564277649337, 0.4763912038281628 99 | 10.701371041453843, 0.5150384429270392 100 | 10.711661917307383, 0.4568632722189365 101 | 10.715812678100974, 0.4267111135007259 102 | 10.719984945427175, 0.3922576482606591 103 | 10.726146567019734, 0.35993332974891123 104 | 10.730297327813325, 0.3297811710307006 105 | 10.734491101672134, 0.2910263992687778 106 | 10.740674229797303, 0.25440077423517393 107 | 10.750857572987798, 0.21773213613635134 108 | 10.759030055379323, 0.1832356578310661 109 | 10.775192214635197, 0.15080380665627202 110 | 10.787332652293136, 0.1227162750685522 111 | 10.805462659282759, 0.09671487714393256 112 | 10.827560621538794, 0.07712242593687835 113 | 10.857637507392871, 0.06174525512124296 114 | 10.88368191838271, 0.05286305715361039 115 | 10.913726544437875, 0.04393784612075913 116 | 10.933759879563418, 0.037270821011882393 117 | 10.95777192322168, 0.03486208935964297 118 | 10.979794612613583, 0.030324210979084887 119 | 11.007817624603474, 0.025721813000698868 120 | 11.035819130060757, 0.025420721544169078 121 | 11.06783160384967, 0.022925963761492696 122 | 11.09784397010592, 0.02045271251142533 123 | 11.127856336362171, 0.017979461261357965 124 | 11.149857519221463, 0.017742889402655893 125 | 11.177869777945052, 0.01529114468519821 126 | 11.203881929135974, 0.012860906500349323 127 | 11.233894295392226, 0.010387655250282402 128 | 11.259895693316846, 0.010108070326361629 129 | 11.287907952040433, 0.007656325608903947 130 | 11.3059089198344, 0.007462766815420352 131 | 11.337921393623313, 0.004968009032743748 132 | 11.3599118232163, 0.00688209043496979 133 | 11.3819237593419, 0.004494865315339602 134 | -------------------------------------------------------------------------------- /Response_to_reviewers.md: -------------------------------------------------------------------------------- 1 | # Response to reviewers 2 | 3 | ## Reviewer 1 comments 4 | 5 | This is a nicely written report that provides an important demonstration of high-quality V&V and R&R. The effort of the group to provide all materials and act as a positive example for the computational community is commendable. The report also benefits from a deep and informative background section; a positive aspect and a good fit for a journal such as Phil. Transactions A. 6 | 7 | Minor comments: 8 | 9 | - [x] Pg 2 line 26 – trecode should be treecode 10 | - [x] Pg 2 line 36 – mode should be modes 11 | - [x] Pg 8 line 39 – there is repetition of ‘a a’ 12 | - [x] Pg 9, and elsewhere, when discussing the features of the figures, in the case of Pg 9 it is figure 4, it would be useful to be more descriptive, for instance “One can see that the second peak in the E||b plot at 10.6 um is not present for the green curve” 13 | - [x] In the Figure 4 caption it would be useful to briefly explain the legend terms: trimesh, uniform and uni + round. 14 | - [x] Pg 12 line 27 – change “per Angstrom-squared” to use the Angstrom symbol and rewrite? 15 | - [x] Pg 19 line 19 – given he relationship 16 | 17 | 18 | **Changes** 19 | 20 | Commit: [c5095c3](https://github.com/barbagroup/pygbe_validation_paper/commit/c5095c31761e7092858b21a43a16d39aadbd0912) 21 | 22 | - In abstract: 23 | trecode -> treecode 24 | position of some mode -> position of some modes 25 | - In results: 26 | a a -> a 27 | - In discussion: 28 | given he -> given the 29 | 30 | Commit: [b060520](https://github.com/barbagroup/pygbe_validation_paper/pull/4/commits/b0605200ac6928998e75a2a9667889e69c81639d), 31 | commit [50d7357](https://github.com/barbagroup/pygbe_validation_paper/commit/50d73572fa65f8823dfed09342a490ee55ed284e) 32 | - Explain legends in caption 33 | 34 | Commit [bf14a0a](https://github.com/barbagroup/pygbe_validation_paper/commit/bf14a0ae0122e371ea6180c230b5196ee329aef8) - better explain Fig. 4 35 | 36 | Commit: [6f5dec](https://github.com/barbagroup/pygbe_validation_paper/pull/4/commits/6f5decbc6a101b8c38c6e83b0b772b7e0f648b17) 37 | - Use Angstrom symbol 38 | 39 | ## Reviwer 2 comments 40 | 41 | It was a pleasure to review the manuscript “Reproducible Validation and Replication Studies in Nanoscale Physics” by Clementi and Barba. This paper presents validation and replication studies in area of nanostructure responses to electromagnetic waves. The authors use their previously developed open-source software PyGBe to replicate results from previous publications. The authors make their reproducibility packages openly accessible, including the computational software, input files, execution scripts, analysis code, data and figures. This is essential for open science and for the feasibility of replication study. The manuscript addresses the important topic of reproducibility and replication. Its well-written background section makes the paper not only of interest to this specific field, but also to a general audience. I recommend to publish the manuscript after some minor revisions: 42 | 43 | Although the main purpose of the paper is replication, the other closely related topics should also be addressed. This includes: 44 | 45 | - [x] Although the authors released their reproducibility packages, they don’t show the reproducibility of their calculations: can consistent results be generated when the calculations are repeated, how sensitive the results are to the input data, etc. 46 | - [x] What are the uncertainties of the calculations? Can error bars be added to the results as displayed in the figures and tables? 47 | 48 | - [x] In the “replication of results from Rockstuhl, et al., 2005”, it appears that the main reason for the differences is the 2D and 3D representation between the previous and current studies. The authors show the impact of the y dimensions to the calculated results, but only use two lengths. Are there any limitations to to stop the authors to lengthen y larger than 2688 nm? Will some peaks disappear if the y dimension approaches to infinity? 49 | 50 | 51 | Typos: 52 | - [x] Page 5, line 30: PyGBE --> PyGBe 53 | - [x] Page 18, line 18, “… he relationship …” --> “ … the relationship …” 54 | 55 | 56 | **Response** 57 | 58 | Running the execution scripts with the same input file on the same machine will produce the same results with bit-by-bit reproducibility. If running on a different machine, the results could show a difference due to floating-point error. We did confirm this. In fact, we have manually triggered correctness tests on the software that we run each time a change is applied in the code, which compares to previously generated results; we set these tests to pass when the difference in the results match to 10^{-10}. 59 | 60 | The uncertainties in the calculations are: model uncertainties (quasi static approximation), spatial discretization errors (quantified via grid-convergence analysis in a previous paper that we cite in the manuscript), algebraic errors (from the iterative linear solver, set via exit tolerance), tree code approximation (quantifiable and controllable via expansion order and tree level). Additionally, the experimentally obtained value of the dielectric constant of the material is also subject to uncertainties (unknown to us). Since none of these sources of uncertainty is of statistical nature, error bars are not appropriate. 61 | 62 | **Changes** 63 | 64 | Added: "We did not explore larger values of $y$ because of the limitations imposed by the quasistatic limit model." 65 | 66 | ## Additional changes 67 | 68 | After submission of the manuscript, and having posted the preprint on ArXiv, we received email communication from Prof. Carsten Rockstuhl, noting some refinements we could make to a couple of passages. We have documented this correspondence and the changes we made to the paper in [Issue 3](https://github.com/barbagroup/pygbe_validation_paper/issues/3) within our manuscript repository. 69 | 70 | See history of commits, including: 71 | 72 | - Commit [94279c6](https://github.com/barbagroup/pygbe_validation_paper/commit/94279c66d6654eebe2da4163689ac5d88ecd130a) 73 | - Commit: [89b23f9](https://github.com/barbagroup/pygbe_validation_paper/commit/89b23f94f972d2c2bff5c1a899c407386de1ae48) 74 | 75 | We added a note in the acknowledgements for this correspondence with Rockstuhl. -------------------------------------------------------------------------------- /repro_packs/ellis/repro_results_plots/results_data/iso_pillar_AR/iso_pillar_AR_1_800-1000cm-1_in_ang.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext [nm^2] 2 | 125003.46015 1411.11679 3 | 124853.56267 1439.51050 4 | 124703.66811 1466.76220 5 | 124553.77772 1493.26733 6 | 124403.87307 1519.59670 7 | 124253.98495 1546.16354 8 | 124104.08531 1574.77495 9 | 123954.18514 1602.61255 10 | 123804.29566 1629.92650 11 | 123654.39852 1657.99047 12 | 123514.49168 1686.34550 13 | 123364.59791 1715.69359 14 | 123214.70051 1745.84727 15 | 123074.79367 1776.67507 16 | 122924.89742 1808.38690 17 | 122784.99532 1840.93876 18 | 122635.10530 1874.23661 19 | 122485.20847 1908.68043 20 | 122345.30490 1943.79778 21 | 122205.39751 1979.91830 22 | 122055.50605 2017.19567 23 | 121915.59837 2055.39715 24 | 121765.69965 2094.81496 25 | 121625.79630 2135.19391 26 | 121485.89486 2176.75365 27 | 121345.99637 2219.41330 28 | 121196.10174 2263.41871 29 | 121056.19819 2308.71177 30 | 120916.29168 2355.38614 31 | 120776.39265 2403.42644 32 | 120636.48365 2453.19570 33 | 120496.58435 2504.14435 34 | 120356.67734 2556.83045 35 | 120216.77306 2611.33745 36 | 120076.87257 2667.32926 37 | 119936.96782 2725.21898 38 | 119797.06916 2785.17494 39 | 119657.15940 2846.80296 40 | 119527.25569 2910.45179 41 | 119387.34940 2976.38645 42 | 119247.44453 3044.52637 43 | 119107.54225 3115.17288 44 | 118977.63068 3188.17821 45 | 118837.73148 3263.57120 46 | 118697.82920 3342.04338 47 | 118567.91495 3423.09362 48 | 118428.01332 3507.14426 49 | 118298.10104 3594.07718 50 | 118158.20438 3684.57806 51 | 118028.28923 3778.44747 52 | 117888.38417 3875.40153 53 | 117758.47904 3976.70516 54 | 117628.56944 4081.45241 55 | 117488.66128 4191.34299 56 | 117358.75013 4305.33601 57 | 117228.84614 4423.81207 58 | 117088.94465 4547.54978 59 | 116959.02773 4676.17654 60 | 116829.12089 4810.70325 61 | 116699.20770 4950.21866 62 | 116569.29780 5097.36975 63 | 116429.39552 5250.41702 64 | 116299.49156 5410.04117 65 | 116169.57663 5577.60341 66 | 116039.66893 5753.55417 67 | 115909.76082 5936.50791 68 | 115779.84479 6129.96628 69 | 115649.93882 6332.35288 70 | 115530.02082 6545.13887 71 | 115400.10688 6768.30419 72 | 115270.19736 7005.27688 73 | 115140.29321 7252.84099 74 | 115010.37855 7514.44178 75 | 114880.47124 7791.09051 76 | 114760.55084 8082.68454 77 | 114630.64685 8392.18562 78 | 114500.73636 8719.63335 79 | 114380.81627 9066.33003 80 | 114250.90638 9435.38758 81 | 114130.98661 9827.39006 82 | 114001.08101 10245.91575 83 | 113871.16552 10692.13518 84 | 113751.25094 11168.58301 85 | 113621.34539 11680.33661 86 | 113501.42330 12227.94854 87 | 113381.50877 12816.57488 88 | 113251.59723 13451.72459 89 | 113131.68038 14131.69000 90 | 113001.77171 14864.65456 91 | 112881.85613 15656.40594 92 | 112761.93589 16515.90518 93 | 112642.01993 17452.81077 94 | 112512.11323 18478.83367 95 | 112392.18928 19598.75968 96 | 112272.27209 20831.35627 97 | 112152.36247 22189.04075 98 | 112032.44516 23689.17205 99 | 111912.52107 25357.19782 100 | 111782.61315 27219.92451 101 | 111662.69945 29304.97039 102 | 111542.78158 31648.88736 103 | 111422.86031 34309.07988 104 | 111302.94439 37339.75485 105 | 111183.02681 40809.85715 106 | 111063.11616 44829.83916 107 | 110953.19080 49508.15745 108 | 110833.27498 55008.56155 109 | 110713.35290 61554.76642 110 | 110593.44110 69424.39824 111 | 110473.51696 79004.29321 112 | 110353.60470 90872.33018 113 | 110243.67905 105766.25672 114 | 110123.76343 124902.88930 115 | 110003.84664 150017.51029 116 | 109893.92479 183825.66702 117 | 109774.00178 230681.13496 118 | 109654.08777 297815.76605 119 | 109544.16106 396848.39558 120 | 109424.24559 546003.07129 121 | 109314.32288 766011.60375 122 | 109194.40915 1049380.21442 123 | 109084.48563 1296336.54971 124 | 108964.56166 1343947.11560 125 | 108854.64035 1160591.47494 126 | 108734.72445 891097.14195 127 | 108624.80067 664426.97537 128 | 108504.88100 513395.75166 129 | 108394.95776 424859.29546 130 | 108285.03322 380284.75153 131 | 108165.11780 361758.86090 132 | 108055.19811 349877.20421 133 | 107945.27177 340765.54933 134 | 107835.34696 346727.28326 135 | 107715.42831 376343.32738 136 | 107605.50674 434415.90482 137 | 107495.58141 532705.50405 138 | 107385.66030 693864.91572 139 | 107275.73679 945905.52950 140 | 107165.81161 1287195.53444 141 | 107055.88543 1583886.79428 142 | 106945.96623 1582645.86659 143 | 106836.04011 1292511.30922 144 | 106726.11513 964172.36857 145 | 106616.19191 721163.74658 146 | 106506.26393 562904.51932 147 | 106396.34638 455129.87430 148 | 106286.41826 374239.88471 149 | 106176.49471 313599.37411 150 | 106066.56926 271558.12910 151 | 105956.64973 245167.73793 152 | 105846.72260 233153.70111 153 | 105736.80282 236383.96736 154 | 105636.87228 255366.36955 155 | 105526.94844 284675.38624 156 | 105417.01980 309340.68233 157 | 105307.09414 318835.45396 158 | 105207.16397 317052.54448 159 | 105097.23964 313327.10687 160 | 104987.32039 316286.48162 161 | 104887.38696 338601.84489 162 | 104777.46594 384262.23692 163 | 104677.53405 442083.64973 164 | 104567.60698 503236.15935 165 | 104457.68842 538827.67426 166 | 104357.75554 492645.51493 167 | 104247.82805 385338.64392 168 | 104147.90279 282354.98176 169 | 104037.97596 207802.20311 170 | 103938.04690 157510.26731 171 | 103838.11748 123434.01985 172 | 103728.19299 99744.28563 173 | 103628.25660 82697.39090 174 | 103518.33259 70034.83418 175 | 103418.40528 60367.01158 176 | 103318.47373 52791.51981 177 | 103208.54823 46733.70934 178 | 103108.62258 41797.04690 179 | 103008.68771 37711.18123 180 | 102908.75774 34273.45867 181 | 102808.82642 31353.26682 182 | 102698.90179 28848.85159 183 | 102598.96889 26669.22863 184 | 102499.04315 24763.60894 185 | 102399.11173 23084.04484 186 | 102299.18186 21591.99632 187 | 102199.24753 20259.28894 188 | 102099.31589 19064.75423 189 | 101999.38755 17984.56701 190 | 101889.46220 17007.58365 191 | 101789.53530 16116.72833 192 | 101689.60025 15302.10019 193 | 101589.67084 14555.60097 194 | 101499.73566 13867.44938 195 | 101399.79948 13233.02644 196 | 101299.87054 12646.79349 197 | 101199.94289 12103.01471 198 | 101100.01059 11596.65644 199 | 101000.08079 11125.34642 200 | 100900.14751 10685.03150 201 | 100800.21789 10272.76784 202 | 100710.28058 9885.52602 203 | 100610.34651 9522.80574 204 | 100510.41775 9181.35090 205 | 100410.48844 8859.93757 206 | 100320.54700 8555.86703 207 | 100220.61767 8269.05773 208 | 100120.68954 7998.07907 209 | 100020.75676 7741.39308 210 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/results_data/iso_pillar_AR/original/iso_pillar_AR_1_800-1000cm-1_in_ang.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext [nm^2] 2 | 125003.46015 1411.11679 3 | 124853.56267 1439.51050 4 | 124703.66811 1466.76220 5 | 124553.77772 1493.26733 6 | 124403.87307 1519.59670 7 | 124253.98495 1546.16354 8 | 124104.08531 1574.77495 9 | 123954.18514 1602.61255 10 | 123804.29566 1629.92650 11 | 123654.39852 1657.99047 12 | 123514.49168 1686.34550 13 | 123364.59791 1715.69359 14 | 123214.70051 1745.84727 15 | 123074.79367 1776.67507 16 | 122924.89742 1808.38690 17 | 122784.99532 1840.93876 18 | 122635.10530 1874.23661 19 | 122485.20847 1908.68043 20 | 122345.30490 1943.79778 21 | 122205.39751 1979.91830 22 | 122055.50605 2017.19567 23 | 121915.59837 2055.39715 24 | 121765.69965 2094.81496 25 | 121625.79630 2135.19391 26 | 121485.89486 2176.75365 27 | 121345.99637 2219.41330 28 | 121196.10174 2263.41871 29 | 121056.19819 2308.71177 30 | 120916.29168 2355.38614 31 | 120776.39265 2403.42644 32 | 120636.48365 2453.19570 33 | 120496.58435 2504.14435 34 | 120356.67734 2556.83045 35 | 120216.77306 2611.33745 36 | 120076.87257 2667.32926 37 | 119936.96782 2725.21898 38 | 119797.06916 2785.17494 39 | 119657.15940 2846.80296 40 | 119527.25569 2910.45179 41 | 119387.34940 2976.38645 42 | 119247.44453 3044.52637 43 | 119107.54225 3115.17288 44 | 118977.63068 3188.17821 45 | 118837.73148 3263.57120 46 | 118697.82920 3342.04338 47 | 118567.91495 3423.09362 48 | 118428.01332 3507.14426 49 | 118298.10104 3594.07718 50 | 118158.20438 3684.57806 51 | 118028.28923 3778.44747 52 | 117888.38417 3875.40153 53 | 117758.47904 3976.70516 54 | 117628.56944 4081.45241 55 | 117488.66128 4191.34299 56 | 117358.75013 4305.33601 57 | 117228.84614 4423.81207 58 | 117088.94465 4547.54978 59 | 116959.02773 4676.17654 60 | 116829.12089 4810.70325 61 | 116699.20770 4950.21866 62 | 116569.29780 5097.36975 63 | 116429.39552 5250.41702 64 | 116299.49156 5410.04117 65 | 116169.57663 5577.60341 66 | 116039.66893 5753.55417 67 | 115909.76082 5936.50791 68 | 115779.84479 6129.96628 69 | 115649.93882 6332.35288 70 | 115530.02082 6545.13887 71 | 115400.10688 6768.30419 72 | 115270.19736 7005.27688 73 | 115140.29321 7252.84099 74 | 115010.37855 7514.44178 75 | 114880.47124 7791.09051 76 | 114760.55084 8082.68454 77 | 114630.64685 8392.18562 78 | 114500.73636 8719.63335 79 | 114380.81627 9066.33003 80 | 114250.90638 9435.38758 81 | 114130.98661 9827.39006 82 | 114001.08101 10245.91575 83 | 113871.16552 10692.13518 84 | 113751.25094 11168.58301 85 | 113621.34539 11680.33661 86 | 113501.42330 12227.94854 87 | 113381.50877 12816.57488 88 | 113251.59723 13451.72459 89 | 113131.68038 14131.69000 90 | 113001.77171 14864.65456 91 | 112881.85613 15656.40594 92 | 112761.93589 16515.90518 93 | 112642.01993 17452.81077 94 | 112512.11323 18478.83367 95 | 112392.18928 19598.75968 96 | 112272.27209 20831.35627 97 | 112152.36247 22189.04075 98 | 112032.44516 23689.17205 99 | 111912.52107 25357.19782 100 | 111782.61315 27219.92451 101 | 111662.69945 29304.97039 102 | 111542.78158 31648.88736 103 | 111422.86031 34309.07988 104 | 111302.94439 37339.75485 105 | 111183.02681 40809.85715 106 | 111063.11616 44829.83916 107 | 110953.19080 49508.15745 108 | 110833.27498 55008.56155 109 | 110713.35290 61554.76642 110 | 110593.44110 69424.39824 111 | 110473.51696 79004.29321 112 | 110353.60470 90872.33018 113 | 110243.67905 105766.25672 114 | 110123.76343 124902.88930 115 | 110003.84664 150017.51029 116 | 109893.92479 183825.66702 117 | 109774.00178 230681.13496 118 | 109654.08777 297815.76605 119 | 109544.16106 396848.39558 120 | 109424.24559 546003.07129 121 | 109314.32288 766011.60375 122 | 109194.40915 1049380.21442 123 | 109084.48563 1296336.54971 124 | 108964.56166 1343947.11560 125 | 108854.64035 1160591.47494 126 | 108734.72445 891097.14195 127 | 108624.80067 664426.97537 128 | 108504.88100 513395.75166 129 | 108394.95776 424859.29546 130 | 108285.03322 380284.75153 131 | 108165.11780 361758.86090 132 | 108055.19811 349877.20421 133 | 107945.27177 340765.54933 134 | 107835.34696 346727.28326 135 | 107715.42831 376343.32738 136 | 107605.50674 434415.90482 137 | 107495.58141 532705.50405 138 | 107385.66030 693864.91572 139 | 107275.73679 945905.52950 140 | 107165.81161 1287195.53444 141 | 107055.88543 1583886.79428 142 | 106945.96623 1582645.86659 143 | 106836.04011 1292511.30922 144 | 106726.11513 964172.36857 145 | 106616.19191 721163.74658 146 | 106506.26393 562904.51932 147 | 106396.34638 455129.87430 148 | 106286.41826 374239.88471 149 | 106176.49471 313599.37411 150 | 106066.56926 271558.12910 151 | 105956.64973 245167.73793 152 | 105846.72260 233153.70111 153 | 105736.80282 236383.96736 154 | 105636.87228 255366.36955 155 | 105526.94844 284675.38624 156 | 105417.01980 309340.68233 157 | 105307.09414 318835.45396 158 | 105207.16397 317052.54448 159 | 105097.23964 313327.10687 160 | 104987.32039 316286.48162 161 | 104887.38696 338601.84489 162 | 104777.46594 384262.23692 163 | 104677.53405 442083.64973 164 | 104567.60698 503236.15935 165 | 104457.68842 538827.67426 166 | 104357.75554 492645.51493 167 | 104247.82805 385338.64392 168 | 104147.90279 282354.98176 169 | 104037.97596 207802.20311 170 | 103938.04690 157510.26731 171 | 103838.11748 123434.01985 172 | 103728.19299 99744.28563 173 | 103628.25660 82697.39090 174 | 103518.33259 70034.83418 175 | 103418.40528 60367.01158 176 | 103318.47373 52791.51981 177 | 103208.54823 46733.70934 178 | 103108.62258 41797.04690 179 | 103008.68771 37711.18123 180 | 102908.75774 34273.45867 181 | 102808.82642 31353.26682 182 | 102698.90179 28848.85159 183 | 102598.96889 26669.22863 184 | 102499.04315 24763.60894 185 | 102399.11173 23084.04484 186 | 102299.18186 21591.99632 187 | 102199.24753 20259.28894 188 | 102099.31589 19064.75423 189 | 101999.38755 17984.56701 190 | 101889.46220 17007.58365 191 | 101789.53530 16116.72833 192 | 101689.60025 15302.10019 193 | 101589.67084 14555.60097 194 | 101499.73566 13867.44938 195 | 101399.79948 13233.02644 196 | 101299.87054 12646.79349 197 | 101199.94289 12103.01471 198 | 101100.01059 11596.65644 199 | 101000.08079 11125.34642 200 | 100900.14751 10685.03150 201 | 100800.21789 10272.76784 202 | 100710.28058 9885.52602 203 | 100610.34651 9522.80574 204 | 100510.41775 9181.35090 205 | 100410.48844 8859.93757 206 | 100320.54700 8555.86703 207 | 100220.61767 8269.05773 208 | 100120.68954 7998.07907 209 | 100020.75676 7741.39308 210 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/extra/results_data/iso_pillar/original/iso_pillar_short_edge_800-1000cm-1_in_ang.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext [nm^2] 2 | 125003.46015 2696.93665 3 | 124853.56267 2773.42922 4 | 124703.66811 2835.98244 5 | 124553.77772 2388.92877 6 | 124403.87307 2582.20178 7 | 124253.98495 2724.87272 8 | 124104.08531 2836.87420 9 | 123954.18514 2929.17392 10 | 123804.29566 3061.37295 11 | 123654.39852 3123.51366 12 | 123514.49168 3182.68508 13 | 123364.59791 3241.20269 14 | 123214.70051 3299.34421 15 | 123074.79367 3357.30106 16 | 122924.89742 3415.75317 17 | 122784.99532 3474.83977 18 | 122635.10530 3534.52492 19 | 122485.20847 3595.67128 20 | 122345.30490 3657.49033 21 | 122205.39751 3720.55726 22 | 122055.50605 3785.29280 23 | 121915.59837 3851.24162 24 | 121765.69965 3918.97758 25 | 121625.79630 3988.02313 26 | 121485.89486 4058.78335 27 | 121345.99637 4131.11116 28 | 121196.10174 4205.87720 29 | 121056.19819 4282.11333 30 | 120916.29168 4360.34368 31 | 120776.39265 4440.60661 32 | 120636.48365 4523.48623 33 | 120496.58435 4608.00055 34 | 120356.67734 4695.10267 35 | 120216.77306 4784.95197 36 | 120076.87257 4876.87849 37 | 119936.96782 4971.62426 38 | 119797.06916 5069.44206 39 | 119657.15940 5169.60066 40 | 119527.25569 5272.64765 41 | 119387.34940 5379.06547 42 | 119247.44453 5488.58584 43 | 119107.54225 5601.83392 44 | 118977.63068 5716.33434 45 | 118837.73148 5836.25411 46 | 118697.82920 5960.64257 47 | 118567.91495 6088.52091 48 | 118428.01332 6220.71372 49 | 118298.10104 6356.80985 50 | 118158.20438 6497.87198 51 | 118028.28923 6643.69046 52 | 117888.38417 6793.65571 53 | 117758.47904 6949.15669 54 | 117628.56944 7109.09147 55 | 117488.66128 7276.23711 56 | 117358.75013 7448.74478 57 | 117228.84614 7627.04698 58 | 117088.94465 7812.42114 59 | 116959.02773 8004.03578 60 | 116829.12089 8203.39727 61 | 116699.20770 8409.68378 62 | 116569.29780 8625.54448 63 | 116429.39552 8848.72756 64 | 116299.49156 9079.99913 65 | 116169.57663 9321.29877 66 | 116039.66893 9573.10609 67 | 115909.76082 9841.70724 68 | 115779.84479 10116.62126 69 | 115649.93882 10402.01335 70 | 115530.02082 10711.71785 71 | 115400.10688 11025.53992 72 | 115270.19736 11357.73771 73 | 115140.29321 11675.25526 74 | 115010.37855 12030.72369 75 | 114880.47124 12402.85254 76 | 114760.55084 12796.42873 77 | 114630.64685 13206.53436 78 | 114500.73636 13637.96413 79 | 114380.81627 14108.24367 80 | 114250.90638 14591.41796 81 | 114130.98661 15131.95918 82 | 114001.08101 15660.16805 83 | 113871.16552 16213.16201 84 | 113751.25094 16798.36973 85 | 113621.34539 17413.42044 86 | 113501.42330 18079.88061 87 | 113381.50877 18788.75320 88 | 113251.59723 19546.43819 89 | 113131.68038 20350.66384 90 | 113001.77171 21212.22495 91 | 112881.85613 22134.84308 92 | 112761.93589 23119.81032 93 | 112642.01993 24177.32366 94 | 112512.11323 25323.51435 95 | 112392.18928 26556.46716 96 | 112272.27209 27888.41803 97 | 112152.36247 29336.86909 98 | 112032.44516 30893.49870 99 | 111912.52107 32616.80634 100 | 111782.61315 34531.27828 101 | 111662.69945 36583.10228 102 | 111542.78158 38912.17624 103 | 111422.86031 41454.67784 104 | 111302.94439 44313.55403 105 | 111183.02681 47528.36963 106 | 111063.11616 51144.72075 107 | 110953.19080 55311.26619 108 | 110833.27498 60092.06635 109 | 110713.35290 65641.83226 110 | 110593.44110 72164.98234 111 | 110473.51696 79938.05485 112 | 110353.60470 89364.54450 113 | 110243.67905 100963.77801 114 | 110123.76343 115583.10245 115 | 110003.84664 134424.02404 116 | 109893.92479 159439.07225 117 | 109774.00178 193748.96533 118 | 109654.08777 242393.78155 119 | 109544.16106 313332.08527 120 | 109424.24559 416664.50479 121 | 109314.32288 553799.36230 122 | 109194.40915 684933.58872 123 | 109084.48563 737171.60655 124 | 108964.56166 728343.13041 125 | 108854.64035 746941.64027 126 | 108734.72445 810434.31768 127 | 108624.80067 835524.64550 128 | 108504.88100 752046.18652 129 | 108394.95776 625253.25100 130 | 108285.03322 530416.31495 131 | 108165.11780 484020.22211 132 | 108055.19811 480317.99494 133 | 107945.27177 516035.86772 134 | 107835.34696 595154.93229 135 | 107715.42831 729184.68148 136 | 107605.50674 932248.63354 137 | 107495.58141 1201173.76748 138 | 107385.66030 1473731.84413 139 | 107275.73679 1656720.97982 140 | 107165.81161 1812101.18373 141 | 107055.88543 2086833.88050 142 | 106945.96623 2445595.78511 143 | 106836.04011 2593625.82495 144 | 106726.11513 2298242.57549 145 | 106616.19191 1779268.19149 146 | 106506.26393 1328960.04098 147 | 106396.34638 1016990.01995 148 | 106286.41826 812929.44821 149 | 106176.49471 682311.24050 150 | 106066.56926 606373.91808 151 | 105956.64973 575433.86581 152 | 105846.72260 581682.78839 153 | 105736.80282 608920.90113 154 | 105636.87228 630441.45926 155 | 105526.94844 643165.95069 156 | 105417.01980 663762.10040 157 | 105307.09414 690380.42601 158 | 105207.16397 723566.19334 159 | 105097.23964 773817.79597 160 | 104987.32039 849500.85982 161 | 104887.38696 965810.77372 162 | 104777.46594 1135877.12021 163 | 104677.53405 1373513.81419 164 | 104567.60698 1714471.74780 165 | 104457.68842 2194093.88653 166 | 104357.75554 2851835.70019 167 | 104247.82805 3684912.24953 168 | 104147.90279 4298185.45922 169 | 104037.97596 4057064.67116 170 | 103938.04690 3155990.38560 171 | 103838.11748 2254069.61058 172 | 103728.19299 1600925.49466 173 | 103628.25660 1166004.11163 174 | 103518.33259 876905.28155 175 | 103418.40528 680141.95866 176 | 103318.47373 541847.85122 177 | 103208.54823 441652.72559 178 | 103108.62258 367067.60252 179 | 103008.68771 310162.87793 180 | 102908.75774 265728.99225 181 | 102808.82642 230462.47761 182 | 102698.90179 202013.61047 183 | 102598.96889 178649.43034 184 | 102499.04315 159275.30324 185 | 102399.11173 143014.79757 186 | 102299.18186 129212.38730 187 | 102199.24753 117405.04969 188 | 102099.31589 107229.66622 189 | 101999.38755 98370.29434 190 | 101889.46220 90632.45379 191 | 101789.53530 83810.97816 192 | 101689.60025 77766.20240 193 | 101589.67084 72389.82639 194 | 101499.73566 67574.67941 195 | 101399.79948 63250.34380 196 | 101299.87054 59355.13647 197 | 101199.94289 55828.58504 198 | 101100.01059 52620.23993 199 | 101000.08079 49699.03699 200 | 100900.14751 47027.37675 201 | 100800.21789 44575.81794 202 | 100710.28058 42318.97225 203 | 100610.34651 40242.67028 204 | 100510.41775 38322.52687 205 | 100410.48844 36545.76736 206 | 100320.54700 34893.26300 207 | 100220.61767 33358.15960 208 | 100120.68954 31929.55475 209 | 100020.75676 30596.03810 210 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_results_plots/results_data/iso_pillar_AR_22deg/iso_pillar_AR_1_22deg_800-1000cm-1_in_ang.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext [nm^2] 2 | 125003.46015 2706.83257 3 | 124853.56267 2763.92578 4 | 124703.66811 2822.22915 5 | 124553.77772 2882.02357 6 | 124403.87307 2943.54596 7 | 124253.98495 3006.96974 8 | 124104.08531 3072.68588 9 | 123954.18514 3140.10570 10 | 123804.29566 3210.06790 11 | 123654.39852 3282.56681 12 | 123514.49168 3356.72324 13 | 123364.59791 3434.02719 14 | 123214.70051 3514.22847 15 | 123074.79367 3597.10656 16 | 122924.89742 3683.18635 17 | 122784.99532 3772.50356 18 | 122635.10530 3864.92291 19 | 122485.20847 3961.42938 20 | 122345.30490 4061.20774 21 | 122205.39751 4164.91345 22 | 122055.50605 4273.17443 23 | 121915.59837 4385.63425 24 | 121765.69965 4503.02739 25 | 121625.79630 4625.01667 26 | 121485.89486 4752.32801 27 | 121345.99637 4884.88375 28 | 121196.10174 5023.87794 29 | 121056.19819 5168.82498 30 | 120916.29168 5320.33891 31 | 120776.39265 5478.98890 32 | 120636.48365 5645.74331 33 | 120496.58435 5819.57682 34 | 120356.67734 6002.44781 35 | 120216.77306 6195.03350 36 | 120076.87257 6396.71263 37 | 119936.96782 6609.27162 38 | 119797.06916 6833.77911 39 | 119657.15940 7069.61327 40 | 119527.25569 7318.52613 41 | 119387.34940 7582.10067 42 | 119247.44453 7860.77445 43 | 119107.54225 8156.65915 44 | 118977.63068 8470.48362 45 | 118837.73148 8803.05085 46 | 118697.82920 9158.19955 47 | 118567.91495 9536.12549 48 | 118428.01332 9939.46069 49 | 118298.10104 10370.09255 50 | 118158.20438 10832.23186 51 | 118028.28923 11328.16801 52 | 117888.38417 11859.01491 53 | 117758.47904 12433.88815 54 | 117628.56944 13052.06164 55 | 117488.66128 13724.86756 56 | 117358.75013 14453.92450 57 | 117228.84614 15245.50769 58 | 117088.94465 16110.98598 59 | 116959.02773 17056.63270 60 | 116829.12089 18096.46963 61 | 116699.20770 19234.88257 62 | 116569.29780 20504.39632 63 | 116429.39552 21907.40114 64 | 116299.49156 23469.01955 65 | 116169.57663 25221.67057 66 | 116039.66893 27196.80064 67 | 115909.76082 29418.58070 68 | 115779.84479 31961.29348 69 | 115649.93882 34860.97087 70 | 115530.02082 38211.61727 71 | 115400.10688 42094.13484 72 | 115270.19736 46668.74439 73 | 115140.29321 52045.13075 74 | 115010.37855 58480.93919 75 | 114880.47124 66257.16487 76 | 114760.55084 75767.90260 77 | 114630.64685 87596.90533 78 | 114500.73636 102510.26844 79 | 114380.81627 121706.53117 80 | 114250.90638 146912.18636 81 | 114130.98661 180838.10380 82 | 114001.08101 227850.60508 83 | 113871.16552 294867.61186 84 | 113751.25094 393482.24479 85 | 113621.34539 542973.38038 86 | 113501.42330 769815.43069 87 | 113381.50877 1092301.38941 88 | 113251.59723 1441907.80017 89 | 113131.68038 1574091.63036 90 | 113001.77171 1351246.01722 91 | 112881.85613 994138.44478 92 | 112761.93589 700555.17676 93 | 112642.01993 500821.18379 94 | 112512.11323 369967.02062 95 | 112392.18928 283363.84378 96 | 112272.27209 224359.71568 97 | 112152.36247 183075.37025 98 | 112032.44516 153484.89954 99 | 111912.52107 131828.01962 100 | 111782.61315 115775.11767 101 | 111662.69945 103793.28845 102 | 111542.78158 94873.82918 103 | 111422.86031 88325.98887 104 | 111302.94439 83709.65224 105 | 111183.02681 80715.13925 106 | 111063.11616 79156.40446 107 | 110953.19080 78932.63761 108 | 110833.27498 80038.88774 109 | 110713.35290 82539.54102 110 | 110593.44110 86582.21372 111 | 110473.51696 92426.03585 112 | 110353.60470 100499.71912 113 | 110243.67905 111386.67268 114 | 110123.76343 126082.34702 115 | 110003.84664 146023.26043 116 | 109893.92479 173486.48730 117 | 109774.00178 212138.80388 118 | 109654.08777 268080.06595 119 | 109544.16106 351125.98409 120 | 109424.24559 476701.73725 121 | 109314.32288 662445.21070 122 | 109194.40915 902454.94944 123 | 109084.48563 1113129.67111 124 | 108964.56166 1156008.57023 125 | 108854.64035 1001844.20886 126 | 108734.72445 772883.89285 127 | 108624.80067 579835.12299 128 | 108504.88100 451549.71254 129 | 108394.95776 377216.87799 130 | 108285.03322 341101.40885 131 | 108165.11780 327283.16076 132 | 108055.19811 317822.33777 133 | 107945.27177 309390.60445 134 | 107835.34696 313964.21773 135 | 107715.42831 339297.69785 136 | 107605.50674 388744.85447 137 | 107495.58141 472317.89145 138 | 107385.66030 610351.56489 139 | 107275.73679 827543.05366 140 | 107165.81161 1122843.01303 141 | 107055.88543 1381037.07254 142 | 106945.96623 1382340.34375 143 | 106836.04011 1132935.71839 144 | 106726.11513 849715.02548 145 | 106616.19191 639311.94414 146 | 106506.26393 501142.57184 147 | 106396.34638 406371.36028 148 | 106286.41826 335152.05228 149 | 106176.49471 281805.16868 150 | 106066.56926 244633.62676 151 | 105956.64973 221053.60113 152 | 105846.72260 210050.83486 153 | 105736.80282 212403.53587 154 | 105636.87228 228587.83406 155 | 105526.94844 253949.89966 156 | 105417.01980 275464.07248 157 | 105307.09414 283947.54436 158 | 105207.16397 282820.39012 159 | 105097.23964 280232.22651 160 | 104987.32039 283794.34401 161 | 104887.38696 304748.69158 162 | 104777.46594 346409.02749 163 | 104677.53405 398516.27196 164 | 104567.60698 452873.51122 165 | 104457.68842 483127.20583 166 | 104357.75554 440283.35752 167 | 104247.82805 344136.45165 168 | 104147.90279 252518.16043 169 | 104037.97596 186312.69421 170 | 103938.04690 141651.95551 171 | 103838.11748 111372.44035 172 | 103728.19299 90304.52352 173 | 103628.25660 75129.75953 174 | 103518.33259 63846.94290 175 | 103418.40528 55223.74213 176 | 103318.47373 48459.61289 177 | 103208.54823 43044.84972 178 | 103108.62258 38627.05999 179 | 103008.68771 34966.37357 180 | 102908.75774 31882.50677 181 | 102808.82642 29259.53478 182 | 102698.90179 27007.24142 183 | 102598.96889 25044.20602 184 | 102499.04315 23325.53349 185 | 102399.11173 21808.57481 186 | 102299.18186 20459.00939 187 | 102199.24753 19251.66408 188 | 102099.31589 18167.92203 189 | 101999.38755 17186.36828 190 | 101889.46220 16297.25304 191 | 101789.53530 15485.16680 192 | 101689.60025 14741.37710 193 | 101589.67084 14058.68011 194 | 101499.73566 13428.23879 195 | 101399.79948 12846.12802 196 | 101299.87054 12307.34725 197 | 101199.94289 11806.75486 198 | 101100.01059 11339.82610 199 | 101000.08079 10904.50120 200 | 100900.14751 10497.11571 201 | 100800.21789 10115.06251 202 | 100710.28058 9755.53313 203 | 100610.34651 9418.25128 204 | 100510.41775 9100.23000 205 | 100410.48844 8800.37044 206 | 100320.54700 8516.17629 207 | 100220.61767 8247.72469 208 | 100120.68954 7993.66838 209 | 100020.75676 7752.61628 210 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/results_data/iso_pillar_AR_22deg/original/iso_pillar_AR_1_22deg_800-1000cm-1_in_ang.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext [nm^2] 2 | 125003.46015 2706.83257 3 | 124853.56267 2763.92578 4 | 124703.66811 2822.22915 5 | 124553.77772 2882.02357 6 | 124403.87307 2943.54596 7 | 124253.98495 3006.96974 8 | 124104.08531 3072.68588 9 | 123954.18514 3140.10570 10 | 123804.29566 3210.06790 11 | 123654.39852 3282.56681 12 | 123514.49168 3356.72324 13 | 123364.59791 3434.02719 14 | 123214.70051 3514.22847 15 | 123074.79367 3597.10656 16 | 122924.89742 3683.18635 17 | 122784.99532 3772.50356 18 | 122635.10530 3864.92291 19 | 122485.20847 3961.42938 20 | 122345.30490 4061.20774 21 | 122205.39751 4164.91345 22 | 122055.50605 4273.17443 23 | 121915.59837 4385.63425 24 | 121765.69965 4503.02739 25 | 121625.79630 4625.01667 26 | 121485.89486 4752.32801 27 | 121345.99637 4884.88375 28 | 121196.10174 5023.87794 29 | 121056.19819 5168.82498 30 | 120916.29168 5320.33891 31 | 120776.39265 5478.98890 32 | 120636.48365 5645.74331 33 | 120496.58435 5819.57682 34 | 120356.67734 6002.44781 35 | 120216.77306 6195.03350 36 | 120076.87257 6396.71263 37 | 119936.96782 6609.27162 38 | 119797.06916 6833.77911 39 | 119657.15940 7069.61327 40 | 119527.25569 7318.52613 41 | 119387.34940 7582.10067 42 | 119247.44453 7860.77445 43 | 119107.54225 8156.65915 44 | 118977.63068 8470.48362 45 | 118837.73148 8803.05085 46 | 118697.82920 9158.19955 47 | 118567.91495 9536.12549 48 | 118428.01332 9939.46069 49 | 118298.10104 10370.09255 50 | 118158.20438 10832.23186 51 | 118028.28923 11328.16801 52 | 117888.38417 11859.01491 53 | 117758.47904 12433.88815 54 | 117628.56944 13052.06164 55 | 117488.66128 13724.86756 56 | 117358.75013 14453.92450 57 | 117228.84614 15245.50769 58 | 117088.94465 16110.98598 59 | 116959.02773 17056.63270 60 | 116829.12089 18096.46963 61 | 116699.20770 19234.88257 62 | 116569.29780 20504.39632 63 | 116429.39552 21907.40114 64 | 116299.49156 23469.01955 65 | 116169.57663 25221.67057 66 | 116039.66893 27196.80064 67 | 115909.76082 29418.58070 68 | 115779.84479 31961.29348 69 | 115649.93882 34860.97087 70 | 115530.02082 38211.61727 71 | 115400.10688 42094.13484 72 | 115270.19736 46668.74439 73 | 115140.29321 52045.13075 74 | 115010.37855 58480.93919 75 | 114880.47124 66257.16487 76 | 114760.55084 75767.90260 77 | 114630.64685 87596.90533 78 | 114500.73636 102510.26844 79 | 114380.81627 121706.53117 80 | 114250.90638 146912.18636 81 | 114130.98661 180838.10380 82 | 114001.08101 227850.60508 83 | 113871.16552 294867.61186 84 | 113751.25094 393482.24479 85 | 113621.34539 542973.38038 86 | 113501.42330 769815.43069 87 | 113381.50877 1092301.38941 88 | 113251.59723 1441907.80017 89 | 113131.68038 1574091.63036 90 | 113001.77171 1351246.01722 91 | 112881.85613 994138.44478 92 | 112761.93589 700555.17676 93 | 112642.01993 500821.18379 94 | 112512.11323 369967.02062 95 | 112392.18928 283363.84378 96 | 112272.27209 224359.71568 97 | 112152.36247 183075.37025 98 | 112032.44516 153484.89954 99 | 111912.52107 131828.01962 100 | 111782.61315 115775.11767 101 | 111662.69945 103793.28845 102 | 111542.78158 94873.82918 103 | 111422.86031 88325.98887 104 | 111302.94439 83709.65224 105 | 111183.02681 80715.13925 106 | 111063.11616 79156.40446 107 | 110953.19080 78932.63761 108 | 110833.27498 80038.88774 109 | 110713.35290 82539.54102 110 | 110593.44110 86582.21372 111 | 110473.51696 92426.03585 112 | 110353.60470 100499.71912 113 | 110243.67905 111386.67268 114 | 110123.76343 126082.34702 115 | 110003.84664 146023.26043 116 | 109893.92479 173486.48730 117 | 109774.00178 212138.80388 118 | 109654.08777 268080.06595 119 | 109544.16106 351125.98409 120 | 109424.24559 476701.73725 121 | 109314.32288 662445.21070 122 | 109194.40915 902454.94944 123 | 109084.48563 1113129.67111 124 | 108964.56166 1156008.57023 125 | 108854.64035 1001844.20886 126 | 108734.72445 772883.89285 127 | 108624.80067 579835.12299 128 | 108504.88100 451549.71254 129 | 108394.95776 377216.87799 130 | 108285.03322 341101.40885 131 | 108165.11780 327283.16076 132 | 108055.19811 317822.33777 133 | 107945.27177 309390.60445 134 | 107835.34696 313964.21773 135 | 107715.42831 339297.69785 136 | 107605.50674 388744.85447 137 | 107495.58141 472317.89145 138 | 107385.66030 610351.56489 139 | 107275.73679 827543.05366 140 | 107165.81161 1122843.01303 141 | 107055.88543 1381037.07254 142 | 106945.96623 1382340.34375 143 | 106836.04011 1132935.71839 144 | 106726.11513 849715.02548 145 | 106616.19191 639311.94414 146 | 106506.26393 501142.57184 147 | 106396.34638 406371.36028 148 | 106286.41826 335152.05228 149 | 106176.49471 281805.16868 150 | 106066.56926 244633.62676 151 | 105956.64973 221053.60113 152 | 105846.72260 210050.83486 153 | 105736.80282 212403.53587 154 | 105636.87228 228587.83406 155 | 105526.94844 253949.89966 156 | 105417.01980 275464.07248 157 | 105307.09414 283947.54436 158 | 105207.16397 282820.39012 159 | 105097.23964 280232.22651 160 | 104987.32039 283794.34401 161 | 104887.38696 304748.69158 162 | 104777.46594 346409.02749 163 | 104677.53405 398516.27196 164 | 104567.60698 452873.51122 165 | 104457.68842 483127.20583 166 | 104357.75554 440283.35752 167 | 104247.82805 344136.45165 168 | 104147.90279 252518.16043 169 | 104037.97596 186312.69421 170 | 103938.04690 141651.95551 171 | 103838.11748 111372.44035 172 | 103728.19299 90304.52352 173 | 103628.25660 75129.75953 174 | 103518.33259 63846.94290 175 | 103418.40528 55223.74213 176 | 103318.47373 48459.61289 177 | 103208.54823 43044.84972 178 | 103108.62258 38627.05999 179 | 103008.68771 34966.37357 180 | 102908.75774 31882.50677 181 | 102808.82642 29259.53478 182 | 102698.90179 27007.24142 183 | 102598.96889 25044.20602 184 | 102499.04315 23325.53349 185 | 102399.11173 21808.57481 186 | 102299.18186 20459.00939 187 | 102199.24753 19251.66408 188 | 102099.31589 18167.92203 189 | 101999.38755 17186.36828 190 | 101889.46220 16297.25304 191 | 101789.53530 15485.16680 192 | 101689.60025 14741.37710 193 | 101589.67084 14058.68011 194 | 101499.73566 13428.23879 195 | 101399.79948 12846.12802 196 | 101299.87054 12307.34725 197 | 101199.94289 11806.75486 198 | 101100.01059 11339.82610 199 | 101000.08079 10904.50120 200 | 100900.14751 10497.11571 201 | 100800.21789 10115.06251 202 | 100710.28058 9755.53313 203 | 100610.34651 9418.25128 204 | 100510.41775 9100.23000 205 | 100410.48844 8800.37044 206 | 100320.54700 8516.17629 207 | 100220.61767 8247.72469 208 | 100120.68954 7993.66838 209 | 100020.75676 7752.61628 210 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_results_plots/results_data/iso_pillar_AR/iso_pillar_AR_2_800-1000cm-1_in_ang.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext [nm^2] 2 | 125003.46015 7864.07099 3 | 124853.56267 8032.24059 4 | 124703.66811 8195.80866 5 | 124553.77772 8363.77420 6 | 124403.87307 8533.52157 7 | 124253.98495 8708.12615 8 | 124104.08531 8885.00455 9 | 123954.18514 9067.00696 10 | 123804.29566 9254.99101 11 | 123654.39852 9449.21329 12 | 123514.49168 9646.14384 13 | 123364.59791 9850.69121 14 | 123214.70051 10061.36668 15 | 123074.79367 10279.14262 16 | 122924.89742 10503.70824 17 | 122784.99532 10735.30191 18 | 122635.10530 10974.01964 19 | 122485.20847 11222.31185 20 | 122345.30490 11477.29192 21 | 122205.39751 11740.80890 22 | 122055.50605 12014.43129 23 | 121915.59837 12296.86384 24 | 121765.69965 12590.13402 25 | 121625.79630 12893.06378 26 | 121485.89486 13206.61178 27 | 121345.99637 13530.51331 28 | 121196.10174 13868.93754 29 | 121056.19819 14218.23842 30 | 120916.29168 14580.56449 31 | 120776.39265 14956.56307 32 | 120636.48365 15348.83073 33 | 120496.58435 15754.06038 34 | 120356.67734 16176.32362 35 | 120216.77306 16617.08263 36 | 120076.87257 17073.54742 37 | 119936.96782 17549.66792 38 | 119797.06916 18047.08499 39 | 119657.15940 18563.49061 40 | 119527.25569 19101.88629 41 | 119387.34940 19664.91329 42 | 119247.44453 20252.36915 43 | 119107.54225 20867.69229 44 | 118977.63068 21510.57639 45 | 118837.73148 22181.52422 46 | 118697.82920 22887.05100 47 | 118567.91495 23624.64356 48 | 118428.01332 24398.27809 49 | 118298.10104 25208.73192 50 | 118158.20438 26061.71293 51 | 118028.28923 26958.28879 52 | 117888.38417 27896.56663 53 | 117758.47904 28889.93022 54 | 117628.56944 29931.71135 55 | 117488.66128 31038.11914 56 | 117358.75013 32203.89099 57 | 117228.84614 33433.30198 58 | 117088.94465 34737.27789 59 | 116959.02773 36115.62006 60 | 116829.12089 37579.97999 61 | 116699.20770 39123.43010 62 | 116569.29780 40780.40046 63 | 116429.39552 42535.74385 64 | 116299.49156 44402.61834 65 | 116169.57663 46400.07918 66 | 116039.66893 48538.95120 67 | 115909.76082 50812.52305 68 | 115779.84479 53266.74212 69 | 115649.93882 55890.06326 70 | 115530.02082 58717.63287 71 | 115400.10688 61756.40627 72 | 115270.19736 65060.86558 73 | 115140.29321 68609.38489 74 | 115010.37855 72466.42269 75 | 114880.47124 76658.51270 76 | 114760.55084 81217.42599 77 | 114630.64685 86207.55301 78 | 114500.73636 91662.71343 79 | 114380.81627 97651.83328 80 | 114250.90638 104249.21765 81 | 114130.98661 111531.09733 82 | 114001.08101 119619.68389 83 | 113871.16552 128612.89912 84 | 113751.25094 138644.32040 85 | 113621.34539 149931.65252 86 | 113501.42330 162616.36223 87 | 113381.50877 176987.25455 88 | 113251.59723 193395.45872 89 | 113131.68038 212135.74876 90 | 113001.77171 233778.46179 91 | 112881.85613 258896.12456 92 | 112761.93589 288253.68175 93 | 112642.01993 322889.16318 94 | 112512.11323 364215.46751 95 | 112392.18928 413834.68868 96 | 112272.27209 474350.12308 97 | 112152.36247 549010.70372 98 | 112032.44516 642445.07485 99 | 111912.52107 761609.43601 100 | 111782.61315 916501.38829 101 | 111662.69945 1121993.85797 102 | 111542.78158 1401231.66555 103 | 111422.86031 1792974.78122 104 | 111302.94439 2359036.72760 105 | 111183.02681 3201742.77834 106 | 111063.11616 4487694.40063 107 | 110953.19080 6419293.09806 108 | 110833.27498 8992607.81829 109 | 110713.35290 11228496.08464 110 | 110593.44110 11187685.74384 111 | 110473.51696 8926075.33504 112 | 110353.60470 6375685.71667 113 | 110243.67905 4478905.18698 114 | 110123.76343 3218534.13229 115 | 110003.84664 2391906.69239 116 | 109893.92479 1839146.21222 117 | 109774.00178 1459685.93401 118 | 109654.08777 1192188.40381 119 | 109544.16106 1000489.56645 120 | 109424.24559 862351.09041 121 | 109314.32288 763896.03746 122 | 109194.40915 696900.59359 123 | 109084.48563 654489.89616 124 | 108964.56166 631448.25410 125 | 108854.64035 628827.81389 126 | 108734.72445 655112.79579 127 | 108624.80067 722393.49098 128 | 108504.88100 846023.68256 129 | 108394.95776 1036492.75771 130 | 108285.03322 1278053.01001 131 | 108165.11780 1528586.64396 132 | 108055.19811 1724983.23303 133 | 107945.27177 1743383.65743 134 | 107835.34696 1563772.75581 135 | 107715.42831 1279396.26835 136 | 107605.50674 1004792.85607 137 | 107495.58141 811823.96331 138 | 107385.66030 697939.71457 139 | 107275.73679 625146.45761 140 | 107165.81161 566821.25926 141 | 107055.88543 527976.69972 142 | 106945.96623 500708.48590 143 | 106836.04011 457208.81073 144 | 106726.11513 400601.29450 145 | 106616.19191 351836.57309 146 | 106506.26393 312261.68430 147 | 106396.34638 279307.63052 148 | 106286.41826 254771.92125 149 | 106176.49471 238474.26524 150 | 106066.56926 230582.46177 151 | 105956.64973 231544.97710 152 | 105846.72260 237148.85727 153 | 105736.80282 235414.49755 154 | 105636.87228 222334.51729 155 | 105526.94844 208988.95182 156 | 105417.01980 202372.68593 157 | 105307.09414 202046.96059 158 | 105207.16397 205579.03012 159 | 105097.23964 211736.95849 160 | 104987.32039 221984.16734 161 | 104887.38696 242475.47097 162 | 104777.46594 276397.56582 163 | 104677.53405 319798.16513 164 | 104567.60698 371423.12743 165 | 104457.68842 420614.31616 166 | 104357.75554 422100.91662 167 | 104247.82805 356468.20351 168 | 104147.90279 271412.13800 169 | 104037.97596 203690.69355 170 | 103938.04690 157040.48541 171 | 103838.11748 125556.96855 172 | 103728.19299 103886.02765 173 | 103628.25660 88430.48030 174 | 103518.33259 77016.93954 175 | 103418.40528 68320.02897 176 | 103318.47373 61492.84650 177 | 103208.54823 56008.99838 178 | 103108.62258 51504.26623 179 | 103008.68771 47739.23174 180 | 102908.75774 44532.30555 181 | 102808.82642 41770.69888 182 | 102698.90179 39369.06401 183 | 102598.96889 37243.71917 184 | 102499.04315 35354.51926 185 | 102399.11173 33660.80510 186 | 102299.18186 32130.04433 187 | 102199.24753 30737.55724 188 | 102099.31589 29468.19930 189 | 101999.38755 28299.27568 190 | 101889.46220 27223.76950 191 | 101789.53530 26225.09649 192 | 101689.60025 25295.97187 193 | 101589.67084 24429.79948 194 | 101499.73566 23617.01864 195 | 101399.79948 22855.85078 196 | 101299.87054 22140.98055 197 | 101199.94289 21467.27464 198 | 101100.01059 20829.97686 199 | 101000.08079 20227.74956 200 | 100900.14751 19656.56154 201 | 100800.21789 19113.98484 202 | 100710.28058 18596.42998 203 | 100610.34651 18105.31613 204 | 100510.41775 17636.70654 205 | 100410.48844 17189.62510 206 | 100320.54700 16760.73133 207 | 100220.61767 16351.41384 208 | 100120.68954 15959.88918 209 | 100020.75676 15584.48168 210 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_results_plots/results_data/iso_pillar_AR4_22/iso_pillar_AR4_22_SE_800-1000cm-1_in_ang.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext [nm^2] 2 | 125003.46015 6159.50070 3 | 124853.56267 5850.12706 4 | 124703.66811 5678.78009 5 | 124553.77772 5583.26408 6 | 124403.87307 5536.29005 7 | 124253.98495 5725.52453 8 | 124104.08531 5686.42400 9 | 123954.18514 5681.34507 10 | 123804.29566 5701.53372 11 | 123654.39852 5740.59474 12 | 123514.49168 5792.79477 13 | 123364.59791 5857.48854 14 | 123214.70051 5931.94702 15 | 123074.79367 6014.29045 16 | 122924.89742 6104.08537 17 | 122784.99532 6178.41586 18 | 122635.10530 6282.70905 19 | 122485.20847 6393.07773 20 | 122345.30490 6507.73257 21 | 122205.39751 6627.39578 22 | 122055.50605 6752.60758 23 | 121915.59837 6882.41734 24 | 121765.69965 7017.72372 25 | 121625.79630 7157.61615 26 | 121485.89486 7302.80790 27 | 121345.99637 7452.98353 28 | 121196.10174 7609.76830 29 | 121056.19819 7771.46643 30 | 120916.29168 7939.02866 31 | 120776.39265 8112.62979 32 | 120636.48365 8293.48166 33 | 120496.58435 8479.77717 34 | 120356.67734 8680.04240 35 | 120216.77306 8881.35121 36 | 120076.87257 9089.32607 37 | 119936.96782 9305.63620 38 | 119797.06916 9530.96297 39 | 119657.15940 9764.01662 40 | 119527.25569 10006.12566 41 | 119387.34940 10258.46539 42 | 119247.44453 10520.75367 43 | 119107.54225 10794.52313 44 | 118977.63068 11079.31160 45 | 118837.73148 11375.35407 46 | 118697.82920 11685.49593 47 | 118567.91495 12008.20010 48 | 118428.01332 12345.33959 49 | 118298.10104 12696.07638 50 | 118158.20438 13064.59139 51 | 118028.28923 13450.20605 52 | 117888.38417 13851.74688 53 | 117758.47904 14275.03598 54 | 117628.56944 14716.73961 55 | 117488.66128 15184.01097 56 | 117358.75013 15673.83930 57 | 117228.84614 16187.93581 58 | 117088.94465 16730.66305 59 | 116959.02773 17301.37008 60 | 116829.12089 17902.65736 61 | 116699.20770 18535.08487 62 | 116569.29780 19211.12252 63 | 116429.39552 19923.69564 64 | 116299.49156 20672.67570 65 | 116169.57663 21474.59671 66 | 116039.66893 22329.17007 67 | 115909.76082 23232.65200 68 | 115779.84479 24203.35766 69 | 115649.93882 25239.87372 70 | 115530.02082 26348.32976 71 | 115400.10688 27533.94210 72 | 115270.19736 28843.28400 73 | 115140.29321 30223.09909 74 | 115010.37855 31703.12434 75 | 114880.47124 33318.02851 76 | 114760.55084 35032.52579 77 | 114630.64685 36940.42293 78 | 114500.73636 39050.87392 79 | 114380.81627 41358.81828 80 | 114250.90638 43779.44608 81 | 114130.98661 46529.69568 82 | 114001.08101 49589.97723 83 | 113871.16552 52994.97061 84 | 113751.25094 56791.95752 85 | 113621.34539 61067.59287 86 | 113501.42330 65880.38044 87 | 113381.50877 71349.14331 88 | 113251.59723 77628.26949 89 | 113131.68038 84833.76363 90 | 113001.77171 93221.05211 91 | 112881.85613 103053.09751 92 | 112761.93589 114688.62523 93 | 112642.01993 128624.35342 94 | 112512.11323 145564.15805 95 | 112392.18928 166389.50085 96 | 112272.27209 192459.90303 97 | 112152.36247 225666.53632 98 | 112032.44516 268826.92421 99 | 111912.52107 326492.17570 100 | 111782.61315 405660.34374 101 | 111662.69945 517573.34791 102 | 111542.78158 680744.16513 103 | 111422.86031 926547.84447 104 | 111302.94439 1299675.31578 105 | 111183.02681 1837414.74805 106 | 111063.11616 2454046.73528 107 | 110953.19080 2760111.42897 108 | 110833.27498 2448254.86704 109 | 110713.35290 1844637.91144 110 | 110593.44110 1327031.48920 111 | 110473.51696 974948.21001 112 | 110353.60470 749665.38603 113 | 110243.67905 608412.66150 114 | 110123.76343 522232.61357 115 | 110003.84664 474949.92735 116 | 109893.92479 458369.44279 117 | 109774.00178 468668.96253 118 | 109654.08777 501386.92430 119 | 109544.16106 553832.81510 120 | 109424.24559 637219.90998 121 | 109314.32288 762941.81788 122 | 109194.40915 904361.46852 123 | 109084.48563 1006717.36075 124 | 108964.56166 1098399.10103 125 | 108854.64035 1272497.85242 126 | 108734.72445 1548259.49613 127 | 108624.80067 1779504.25092 128 | 108504.88100 1730519.76122 129 | 108394.95776 1429207.40411 130 | 108285.03322 1110200.73975 131 | 108165.11780 887697.86691 132 | 108055.19811 761476.88476 133 | 107945.27177 711517.24704 134 | 107835.34696 726712.86801 135 | 107715.42831 806992.59786 136 | 107605.50674 957824.37494 137 | 107495.58141 1173170.32245 138 | 107385.66030 1398424.62191 139 | 107275.73679 1551446.73878 140 | 107165.81161 1681207.93725 141 | 107055.88543 1910190.98406 142 | 106945.96623 2208659.51690 143 | 106836.04011 2326858.99895 144 | 106726.11513 2067804.58663 145 | 106616.19191 1620382.29012 146 | 106506.26393 1232127.50427 147 | 106396.34638 958721.81390 148 | 106286.41826 775941.92131 149 | 106176.49471 658494.11200 150 | 106066.56926 590812.66356 151 | 105956.64973 561401.02490 152 | 105846.72260 561137.78046 153 | 105736.80282 578469.43581 154 | 105636.87228 593096.02394 155 | 105526.94844 602820.79863 156 | 105417.01980 621106.67650 157 | 105307.09414 645464.13185 158 | 105207.16397 675953.32142 159 | 105097.23964 721530.93549 160 | 104987.32039 789218.49257 161 | 104887.38696 891708.36352 162 | 104777.46594 1042098.94583 163 | 104677.53405 1254350.97812 164 | 104567.60698 1559377.12156 165 | 104457.68842 1982966.89803 166 | 104357.75554 2550659.87112 167 | 104247.82805 3258109.31719 168 | 104147.90279 3769741.57522 169 | 104037.97596 3545888.54813 170 | 103938.04690 2758012.21743 171 | 103838.11748 1973229.90685 172 | 103728.19299 1405285.85813 173 | 103628.25660 1026864.68703 174 | 103518.33259 775051.62346 175 | 103418.40528 603440.20716 176 | 103318.47373 482650.35316 177 | 103208.54823 395002.63326 178 | 103108.62258 329650.61574 179 | 103008.68771 279705.85206 180 | 102908.75774 240637.18185 181 | 102808.82642 209572.46682 182 | 102698.90179 184468.28915 183 | 102598.96889 163812.15194 184 | 102499.04315 146647.29822 185 | 102399.11173 132212.53048 186 | 102299.18186 119934.76096 187 | 102199.24753 109408.26454 188 | 102099.31589 100317.13214 189 | 101999.38755 92384.62561 190 | 101889.46220 85441.37629 191 | 101789.53530 79306.46917 192 | 101689.60025 73857.86395 193 | 101589.67084 68999.66467 194 | 101499.73566 64639.56082 195 | 101399.79948 60715.15678 196 | 101299.87054 57172.10622 197 | 101199.94289 53956.48520 198 | 101100.01059 51024.16269 199 | 101000.08079 48348.10675 200 | 100900.14751 45894.91063 201 | 100800.21789 43638.43853 202 | 100710.28058 41556.33432 203 | 100610.34651 39636.63900 204 | 100510.41775 37857.32939 205 | 100410.48844 36206.99227 206 | 100320.54700 34668.34814 207 | 100220.61767 33235.92591 208 | 100120.68954 31899.87776 209 | 100020.75676 30649.94409 210 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/results_data/iso_pillar_AR4_22/original/iso_pillar_AR4_22_SE_800-1000cm-1_in_ang.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext [nm^2] 2 | 125003.46015 6159.50070 3 | 124853.56267 5850.12706 4 | 124703.66811 5678.78009 5 | 124553.77772 5583.26408 6 | 124403.87307 5536.29005 7 | 124253.98495 5725.52453 8 | 124104.08531 5686.42400 9 | 123954.18514 5681.34507 10 | 123804.29566 5701.53372 11 | 123654.39852 5740.59474 12 | 123514.49168 5792.79477 13 | 123364.59791 5857.48854 14 | 123214.70051 5931.94702 15 | 123074.79367 6014.29045 16 | 122924.89742 6104.08537 17 | 122784.99532 6178.41586 18 | 122635.10530 6282.70905 19 | 122485.20847 6393.07773 20 | 122345.30490 6507.73257 21 | 122205.39751 6627.39578 22 | 122055.50605 6752.60758 23 | 121915.59837 6882.41734 24 | 121765.69965 7017.72372 25 | 121625.79630 7157.61615 26 | 121485.89486 7302.80790 27 | 121345.99637 7452.98353 28 | 121196.10174 7609.76830 29 | 121056.19819 7771.46643 30 | 120916.29168 7939.02866 31 | 120776.39265 8112.62979 32 | 120636.48365 8293.48166 33 | 120496.58435 8479.77717 34 | 120356.67734 8680.04240 35 | 120216.77306 8881.35121 36 | 120076.87257 9089.32607 37 | 119936.96782 9305.63620 38 | 119797.06916 9530.96297 39 | 119657.15940 9764.01662 40 | 119527.25569 10006.12566 41 | 119387.34940 10258.46539 42 | 119247.44453 10520.75367 43 | 119107.54225 10794.52313 44 | 118977.63068 11079.31160 45 | 118837.73148 11375.35407 46 | 118697.82920 11685.49593 47 | 118567.91495 12008.20010 48 | 118428.01332 12345.33959 49 | 118298.10104 12696.07638 50 | 118158.20438 13064.59139 51 | 118028.28923 13450.20605 52 | 117888.38417 13851.74688 53 | 117758.47904 14275.03598 54 | 117628.56944 14716.73961 55 | 117488.66128 15184.01097 56 | 117358.75013 15673.83930 57 | 117228.84614 16187.93581 58 | 117088.94465 16730.66305 59 | 116959.02773 17301.37008 60 | 116829.12089 17902.65736 61 | 116699.20770 18535.08487 62 | 116569.29780 19211.12252 63 | 116429.39552 19923.69564 64 | 116299.49156 20672.67570 65 | 116169.57663 21474.59671 66 | 116039.66893 22329.17007 67 | 115909.76082 23232.65200 68 | 115779.84479 24203.35766 69 | 115649.93882 25239.87372 70 | 115530.02082 26348.32976 71 | 115400.10688 27533.94210 72 | 115270.19736 28843.28400 73 | 115140.29321 30223.09909 74 | 115010.37855 31703.12434 75 | 114880.47124 33318.02851 76 | 114760.55084 35032.52579 77 | 114630.64685 36940.42293 78 | 114500.73636 39050.87392 79 | 114380.81627 41358.81828 80 | 114250.90638 43779.44608 81 | 114130.98661 46529.69568 82 | 114001.08101 49589.97723 83 | 113871.16552 52994.97061 84 | 113751.25094 56791.95752 85 | 113621.34539 61067.59287 86 | 113501.42330 65880.38044 87 | 113381.50877 71349.14331 88 | 113251.59723 77628.26949 89 | 113131.68038 84833.76363 90 | 113001.77171 93221.05211 91 | 112881.85613 103053.09751 92 | 112761.93589 114688.62523 93 | 112642.01993 128624.35342 94 | 112512.11323 145564.15805 95 | 112392.18928 166389.50085 96 | 112272.27209 192459.90303 97 | 112152.36247 225666.53632 98 | 112032.44516 268826.92421 99 | 111912.52107 326492.17570 100 | 111782.61315 405660.34374 101 | 111662.69945 517573.34791 102 | 111542.78158 680744.16513 103 | 111422.86031 926547.84447 104 | 111302.94439 1299675.31578 105 | 111183.02681 1837414.74805 106 | 111063.11616 2454046.73528 107 | 110953.19080 2760111.42897 108 | 110833.27498 2448254.86704 109 | 110713.35290 1844637.91144 110 | 110593.44110 1327031.48920 111 | 110473.51696 974948.21001 112 | 110353.60470 749665.38603 113 | 110243.67905 608412.66150 114 | 110123.76343 522232.61357 115 | 110003.84664 474949.92735 116 | 109893.92479 458369.44279 117 | 109774.00178 468668.96253 118 | 109654.08777 501386.92430 119 | 109544.16106 553832.81510 120 | 109424.24559 637219.90998 121 | 109314.32288 762941.81788 122 | 109194.40915 904361.46852 123 | 109084.48563 1006717.36075 124 | 108964.56166 1098399.10103 125 | 108854.64035 1272497.85242 126 | 108734.72445 1548259.49613 127 | 108624.80067 1779504.25092 128 | 108504.88100 1730519.76122 129 | 108394.95776 1429207.40411 130 | 108285.03322 1110200.73975 131 | 108165.11780 887697.86691 132 | 108055.19811 761476.88476 133 | 107945.27177 711517.24704 134 | 107835.34696 726712.86801 135 | 107715.42831 806992.59786 136 | 107605.50674 957824.37494 137 | 107495.58141 1173170.32245 138 | 107385.66030 1398424.62191 139 | 107275.73679 1551446.73878 140 | 107165.81161 1681207.93725 141 | 107055.88543 1910190.98406 142 | 106945.96623 2208659.51690 143 | 106836.04011 2326858.99895 144 | 106726.11513 2067804.58663 145 | 106616.19191 1620382.29012 146 | 106506.26393 1232127.50427 147 | 106396.34638 958721.81390 148 | 106286.41826 775941.92131 149 | 106176.49471 658494.11200 150 | 106066.56926 590812.66356 151 | 105956.64973 561401.02490 152 | 105846.72260 561137.78046 153 | 105736.80282 578469.43581 154 | 105636.87228 593096.02394 155 | 105526.94844 602820.79863 156 | 105417.01980 621106.67650 157 | 105307.09414 645464.13185 158 | 105207.16397 675953.32142 159 | 105097.23964 721530.93549 160 | 104987.32039 789218.49257 161 | 104887.38696 891708.36352 162 | 104777.46594 1042098.94583 163 | 104677.53405 1254350.97812 164 | 104567.60698 1559377.12156 165 | 104457.68842 1982966.89803 166 | 104357.75554 2550659.87112 167 | 104247.82805 3258109.31719 168 | 104147.90279 3769741.57522 169 | 104037.97596 3545888.54813 170 | 103938.04690 2758012.21743 171 | 103838.11748 1973229.90685 172 | 103728.19299 1405285.85813 173 | 103628.25660 1026864.68703 174 | 103518.33259 775051.62346 175 | 103418.40528 603440.20716 176 | 103318.47373 482650.35316 177 | 103208.54823 395002.63326 178 | 103108.62258 329650.61574 179 | 103008.68771 279705.85206 180 | 102908.75774 240637.18185 181 | 102808.82642 209572.46682 182 | 102698.90179 184468.28915 183 | 102598.96889 163812.15194 184 | 102499.04315 146647.29822 185 | 102399.11173 132212.53048 186 | 102299.18186 119934.76096 187 | 102199.24753 109408.26454 188 | 102099.31589 100317.13214 189 | 101999.38755 92384.62561 190 | 101889.46220 85441.37629 191 | 101789.53530 79306.46917 192 | 101689.60025 73857.86395 193 | 101589.67084 68999.66467 194 | 101499.73566 64639.56082 195 | 101399.79948 60715.15678 196 | 101299.87054 57172.10622 197 | 101199.94289 53956.48520 198 | 101100.01059 51024.16269 199 | 101000.08079 48348.10675 200 | 100900.14751 45894.91063 201 | 100800.21789 43638.43853 202 | 100710.28058 41556.33432 203 | 100610.34651 39636.63900 204 | 100510.41775 37857.32939 205 | 100410.48844 36206.99227 206 | 100320.54700 34668.34814 207 | 100220.61767 33235.92591 208 | 100120.68954 31899.87776 209 | 100020.75676 30649.94409 210 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/results_data/iso_pillar_AR/original/iso_pillar_AR_2_800-1000cm-1_in_ang.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext [nm^2] 2 | 125003.46015 7864.07099 3 | 124853.56267 8032.24059 4 | 124703.66811 8195.80866 5 | 124553.77772 8363.77420 6 | 124403.87307 8533.52157 7 | 124253.98495 8708.12615 8 | 124104.08531 8885.00455 9 | 123954.18514 9067.00696 10 | 123804.29566 9254.99101 11 | 123654.39852 9449.21329 12 | 123514.49168 9646.14384 13 | 123364.59791 9850.69121 14 | 123214.70051 10061.36668 15 | 123074.79367 10279.14262 16 | 122924.89742 10503.70824 17 | 122784.99532 10735.30191 18 | 122635.10530 10974.01964 19 | 122485.20847 11222.31185 20 | 122345.30490 11477.29192 21 | 122205.39751 11740.80890 22 | 122055.50605 12014.43129 23 | 121915.59837 12296.86384 24 | 121765.69965 12590.13402 25 | 121625.79630 12893.06378 26 | 121485.89486 13206.61178 27 | 121345.99637 13530.51331 28 | 121196.10174 13868.93754 29 | 121056.19819 14218.23842 30 | 120916.29168 14580.56449 31 | 120776.39265 14956.56307 32 | 120636.48365 15348.83073 33 | 120496.58435 15754.06038 34 | 120356.67734 16176.32362 35 | 120216.77306 16617.08263 36 | 120076.87257 17073.54742 37 | 119936.96782 17549.66792 38 | 119797.06916 18047.08499 39 | 119657.15940 18563.49061 40 | 119527.25569 19101.88629 41 | 119387.34940 19664.91329 42 | 119247.44453 20252.36915 43 | 119107.54225 20867.69229 44 | 118977.63068 21510.57639 45 | 118837.73148 22181.52422 46 | 118697.82920 22887.05100 47 | 118567.91495 23624.64356 48 | 118428.01332 24398.27809 49 | 118298.10104 25208.73192 50 | 118158.20438 26061.71293 51 | 118028.28923 26958.28879 52 | 117888.38417 27896.56663 53 | 117758.47904 28889.93022 54 | 117628.56944 29931.71135 55 | 117488.66128 31038.11914 56 | 117358.75013 32203.89099 57 | 117228.84614 33433.30198 58 | 117088.94465 34737.27789 59 | 116959.02773 36115.62006 60 | 116829.12089 37579.97999 61 | 116699.20770 39123.43010 62 | 116569.29780 40780.40046 63 | 116429.39552 42535.74385 64 | 116299.49156 44402.61834 65 | 116169.57663 46400.07918 66 | 116039.66893 48538.95120 67 | 115909.76082 50812.52305 68 | 115779.84479 53266.74212 69 | 115649.93882 55890.06326 70 | 115530.02082 58717.63287 71 | 115400.10688 61756.40627 72 | 115270.19736 65060.86558 73 | 115140.29321 68609.38489 74 | 115010.37855 72466.42269 75 | 114880.47124 76658.51270 76 | 114760.55084 81217.42599 77 | 114630.64685 86207.55301 78 | 114500.73636 91662.71343 79 | 114380.81627 97651.83328 80 | 114250.90638 104249.21765 81 | 114130.98661 111531.09733 82 | 114001.08101 119619.68389 83 | 113871.16552 128612.89912 84 | 113751.25094 138644.32040 85 | 113621.34539 149931.65252 86 | 113501.42330 162616.36223 87 | 113381.50877 176987.25455 88 | 113251.59723 193395.45872 89 | 113131.68038 212135.74876 90 | 113001.77171 233778.46179 91 | 112881.85613 258896.12456 92 | 112761.93589 288253.68175 93 | 112642.01993 322889.16318 94 | 112512.11323 364215.46751 95 | 112392.18928 413834.68868 96 | 112272.27209 474350.12308 97 | 112152.36247 549010.70372 98 | 112032.44516 642445.07485 99 | 111912.52107 761609.43601 100 | 111782.61315 916501.38829 101 | 111662.69945 1121993.85797 102 | 111542.78158 1401231.66555 103 | 111422.86031 1792974.78122 104 | 111302.94439 2359036.72760 105 | 111183.02681 3201742.77834 106 | 111063.11616 4487694.40063 107 | 110953.19080 6419293.09806 108 | 110833.27498 8992607.81829 109 | 110713.35290 11228496.08464 110 | 110593.44110 11187685.74384 111 | 110473.51696 8926075.33504 112 | 110353.60470 6375685.71667 113 | 110243.67905 4478905.18698 114 | 110123.76343 3218534.13229 115 | 110003.84664 2391906.69239 116 | 109893.92479 1839146.21222 117 | 109774.00178 1459685.93401 118 | 109654.08777 1192188.40381 119 | 109544.16106 1000489.56645 120 | 109424.24559 862351.09041 121 | 109314.32288 763896.03746 122 | 109194.40915 696900.59359 123 | 109084.48563 654489.89616 124 | 108964.56166 631448.25410 125 | 108854.64035 628827.81389 126 | 108734.72445 655112.79579 127 | 108624.80067 722393.49098 128 | 108504.88100 846023.68256 129 | 108394.95776 1036492.75771 130 | 108285.03322 1278053.01001 131 | 108165.11780 1528586.64396 132 | 108055.19811 1724983.23303 133 | 107945.27177 1743383.65743 134 | 107835.34696 1563772.75581 135 | 107715.42831 1279396.26835 136 | 107605.50674 1004792.85607 137 | 107495.58141 811823.96331 138 | 107385.66030 697939.71457 139 | 107275.73679 625146.45761 140 | 107165.81161 566821.25926 141 | 107055.88543 527976.69972 142 | 106945.96623 500708.48590 143 | 106836.04011 457208.81073 144 | 106726.11513 400601.29450 145 | 106616.19191 351836.57309 146 | 106506.26393 312261.68430 147 | 106396.34638 279307.63052 148 | 106286.41826 254771.92125 149 | 106176.49471 238474.26524 150 | 106066.56926 230582.46177 151 | 105956.64973 231544.97710 152 | 105846.72260 237148.85727 153 | 105736.80282 235414.49755 154 | 105636.87228 222334.51729 155 | 105526.94844 208988.95182 156 | 105417.01980 202372.68593 157 | 105307.09414 202046.96059 158 | 105207.16397 205579.03012 159 | 105097.23964 211736.95849 160 | 104987.32039 221984.16734 161 | 104887.38696 242475.47097 162 | 104777.46594 276397.56582 163 | 104677.53405 319798.16513 164 | 104567.60698 371423.12743 165 | 104457.68842 420614.31616 166 | 104357.75554 422100.91662 167 | 104247.82805 356468.20351 168 | 104147.90279 271412.13800 169 | 104037.97596 203690.69355 170 | 103938.04690 157040.48541 171 | 103838.11748 125556.96855 172 | 103728.19299 103886.02765 173 | 103628.25660 88430.48030 174 | 103518.33259 77016.93954 175 | 103418.40528 68320.02897 176 | 103318.47373 61492.84650 177 | 103208.54823 56008.99838 178 | 103108.62258 51504.26623 179 | 103008.68771 47739.23174 180 | 102908.75774 44532.30555 181 | 102808.82642 41770.69888 182 | 102698.90179 39369.06401 183 | 102598.96889 37243.71917 184 | 102499.04315 35354.51926 185 | 102399.11173 33660.80510 186 | 102299.18186 32130.04433 187 | 102199.24753 30737.55724 188 | 102099.31589 29468.19930 189 | 101999.38755 28299.27568 190 | 101889.46220 27223.76950 191 | 101789.53530 26225.09649 192 | 101689.60025 25295.97187 193 | 101589.67084 24429.79948 194 | 101499.73566 23617.01864 195 | 101399.79948 22855.85078 196 | 101299.87054 22140.98055 197 | 101199.94289 21467.27464 198 | 101100.01059 20829.97686 199 | 101000.08079 20227.74956 200 | 100900.14751 19656.56154 201 | 100800.21789 19113.98484 202 | 100710.28058 18596.42998 203 | 100610.34651 18105.31613 204 | 100510.41775 17636.70654 205 | 100410.48844 17189.62510 206 | 100320.54700 16760.73133 207 | 100220.61767 16351.41384 208 | 100120.68954 15959.88918 209 | 100020.75676 15584.48168 210 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_results_plots/results_data/iso_pillar_AR_22deg/iso_pillar_AR_2_22deg_800-1000cm-1_in_ang.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext [nm^2] 2 | 125003.46015 8397.84284 3 | 124853.56267 8596.78530 4 | 124703.66811 8780.86906 5 | 124553.77772 8964.55561 6 | 124403.87307 9146.59858 7 | 124253.98495 9341.42993 8 | 124104.08531 9537.32032 9 | 123954.18514 9739.92526 10 | 123804.29566 9944.24508 11 | 123654.39852 10156.11691 12 | 123514.49168 10372.07604 13 | 123364.59791 10598.20411 14 | 123214.70051 10829.16058 15 | 123074.79367 11071.26656 16 | 122924.89742 11318.04451 17 | 122784.99532 11573.10765 18 | 122635.10530 11835.52362 19 | 122485.20847 12109.17855 20 | 122345.30490 12390.34951 21 | 122205.39751 12681.25981 22 | 122055.50605 12983.51081 23 | 121915.59837 13295.81395 24 | 121765.69965 13620.19981 25 | 121625.79630 13955.33950 26 | 121485.89486 14303.05195 27 | 121345.99637 14662.91078 28 | 121196.10174 15038.67350 29 | 121056.19819 15427.16178 30 | 120916.29168 15830.54579 31 | 120776.39265 16249.60266 32 | 120636.48365 16687.24206 33 | 120496.58435 17139.89721 34 | 120356.67734 17612.10937 35 | 120216.77306 18105.28987 36 | 120076.87257 18617.03711 37 | 119936.96782 19151.48804 38 | 119797.06916 19710.55416 39 | 119657.15940 20291.79098 40 | 119527.25569 20898.63955 41 | 119387.34940 21534.14208 42 | 119247.44453 22198.20125 43 | 119107.54225 22894.81225 44 | 118977.63068 23623.85529 45 | 118837.73148 24385.98318 46 | 118697.82920 25188.71136 47 | 118567.91495 26029.52294 48 | 118428.01332 26913.00329 49 | 118298.10104 27840.31483 50 | 118158.20438 28818.26612 51 | 118028.28923 29848.35581 52 | 117888.38417 30928.82790 53 | 117758.47904 32075.25687 54 | 117628.56944 33280.53847 55 | 117488.66128 34563.60087 56 | 117358.75013 35919.16007 57 | 117228.84614 37352.64023 58 | 117088.94465 38877.20826 59 | 116959.02773 40493.46421 60 | 116829.12089 42216.21699 61 | 116699.20770 44038.30248 62 | 116569.29780 46000.98924 63 | 116429.39552 48087.61423 64 | 116299.49156 50315.70063 65 | 116169.57663 52709.62824 66 | 116039.66893 55283.74514 67 | 115909.76082 58032.95251 68 | 115779.84479 61014.73999 69 | 115649.93882 64218.85647 70 | 115530.02082 67691.64297 71 | 115400.10688 71445.72640 72 | 115270.19736 75553.32377 73 | 115140.29321 79995.79365 74 | 115010.37855 84859.36646 75 | 114880.47124 90186.79184 76 | 114760.55084 96030.99828 77 | 114630.64685 102486.78402 78 | 114500.73636 109616.33050 79 | 114380.81627 117530.51627 80 | 114250.90638 126352.72248 81 | 114130.98661 136222.30977 82 | 114001.08101 147344.79213 83 | 113871.16552 159913.58465 84 | 113751.25094 174189.84133 85 | 113621.34539 190581.08933 86 | 113501.42330 209433.69234 87 | 113381.50877 231347.48811 88 | 113251.59723 257117.61528 89 | 113131.68038 287577.36581 90 | 113001.77171 324155.10063 91 | 112881.85613 368614.46071 92 | 112761.93589 423466.49763 93 | 112642.01993 492456.12866 94 | 112512.11323 581303.12225 95 | 112392.18928 698228.94591 96 | 112272.27209 857268.44861 97 | 112152.36247 1080303.96138 98 | 112032.44516 1402023.15673 99 | 111912.52107 1870509.54152 100 | 111782.61315 2510226.89467 101 | 111662.69945 3182902.94913 102 | 111542.78158 3517036.06045 103 | 111422.86031 3442055.32276 104 | 111302.94439 3389513.72367 105 | 111183.02681 3690615.37518 106 | 111063.11616 4504199.19389 107 | 110953.19080 5962799.42191 108 | 110833.27498 8028838.03591 109 | 110713.35290 9849088.94513 110 | 110593.44110 9759898.35276 111 | 110473.51696 7794786.69365 112 | 110353.60470 5591834.12867 113 | 110243.67905 3952118.98771 114 | 110123.76343 2859719.99473 115 | 110003.84664 2140813.56203 116 | 109893.92479 1658320.40486 117 | 109774.00178 1325959.73409 118 | 109654.08777 1091064.99976 119 | 109544.16106 922631.00650 120 | 109424.24559 801697.04736 121 | 109314.32288 716573.39520 122 | 109194.40915 660338.94395 123 | 109084.48563 626400.72680 124 | 108964.56166 608931.71260 125 | 108854.64035 609552.54878 126 | 108734.72445 638745.41077 127 | 108624.80067 710127.58911 128 | 108504.88100 838373.62714 129 | 108394.95776 1024934.92359 130 | 108285.03322 1225932.07612 131 | 108165.11780 1379285.61675 132 | 108055.19811 1481879.66633 133 | 107945.27177 1504640.75150 134 | 107835.34696 1405788.68009 135 | 107715.42831 1189069.72450 136 | 107605.50674 947633.88107 137 | 107495.58141 770703.17566 138 | 107385.66030 668269.70727 139 | 107275.73679 608151.00731 140 | 107165.81161 559739.76412 141 | 107055.88543 521062.56366 142 | 106945.96623 489048.14144 143 | 106836.04011 444036.37587 144 | 106726.11513 389583.62305 145 | 106616.19191 342457.84344 146 | 106506.26393 303628.52446 147 | 106396.34638 271474.56365 148 | 106286.41826 247546.50157 149 | 106176.49471 231573.52129 150 | 106066.56926 223602.24493 151 | 105956.64973 223892.48403 152 | 105846.72260 228331.64578 153 | 105736.80282 226049.15455 154 | 105636.87228 214091.97005 155 | 105526.94844 202550.79987 156 | 105417.01980 197124.94500 157 | 105307.09414 197151.22215 158 | 105207.16397 200629.31545 159 | 105097.23964 206594.85163 160 | 104987.32039 216540.13103 161 | 104887.38696 236500.49191 162 | 104777.46594 269583.08194 163 | 104677.53405 311942.89063 164 | 104567.60698 362314.44020 165 | 104457.68842 409913.77480 166 | 104357.75554 410517.50935 167 | 104247.82805 346183.85542 168 | 104147.90279 263580.07475 169 | 104037.97596 197996.17481 170 | 103938.04690 152848.21892 171 | 103838.11748 122375.86110 172 | 103728.19299 101394.16946 173 | 103628.25660 86423.66977 174 | 103518.33259 75363.95403 175 | 103418.40528 66933.11264 176 | 103318.47373 60312.28613 177 | 103208.54823 54992.10139 178 | 103108.62258 50619.94010 179 | 103008.68771 46964.26979 180 | 102908.75774 43848.99661 181 | 102808.82642 41165.16330 182 | 102698.90179 38830.21390 183 | 102598.96889 36762.83493 184 | 102499.04315 34924.28655 185 | 102399.11173 33275.20192 186 | 102299.18186 31784.00958 187 | 102199.24753 30426.77574 188 | 102099.31589 29188.98746 189 | 101999.38755 28048.52552 190 | 101889.46220 26998.69574 191 | 101789.53530 26023.33020 192 | 101689.60025 25115.40624 193 | 101589.67084 24268.58269 194 | 101499.73566 23473.52096 195 | 101399.79948 22728.58916 196 | 101299.87054 22028.61235 197 | 101199.94289 21368.61239 198 | 101100.01059 20743.96424 199 | 101000.08079 20153.40409 200 | 100900.14751 19592.99539 201 | 100800.21789 19060.41545 202 | 100710.28058 18552.12258 203 | 100610.34651 18069.57049 204 | 100510.41775 17608.94278 205 | 100410.48844 17169.27166 206 | 100320.54700 16747.27445 207 | 100220.61767 16344.38075 208 | 100120.68954 15958.83406 209 | 100020.75676 15588.99732 210 | -------------------------------------------------------------------------------- /repro_packs/ellis/repro_exec_files/results_data/iso_pillar_AR_22deg/original/iso_pillar_AR_2_22deg_800-1000cm-1_in_ang.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext [nm^2] 2 | 125003.46015 8397.84284 3 | 124853.56267 8596.78530 4 | 124703.66811 8780.86906 5 | 124553.77772 8964.55561 6 | 124403.87307 9146.59858 7 | 124253.98495 9341.42993 8 | 124104.08531 9537.32032 9 | 123954.18514 9739.92526 10 | 123804.29566 9944.24508 11 | 123654.39852 10156.11691 12 | 123514.49168 10372.07604 13 | 123364.59791 10598.20411 14 | 123214.70051 10829.16058 15 | 123074.79367 11071.26656 16 | 122924.89742 11318.04451 17 | 122784.99532 11573.10765 18 | 122635.10530 11835.52362 19 | 122485.20847 12109.17855 20 | 122345.30490 12390.34951 21 | 122205.39751 12681.25981 22 | 122055.50605 12983.51081 23 | 121915.59837 13295.81395 24 | 121765.69965 13620.19981 25 | 121625.79630 13955.33950 26 | 121485.89486 14303.05195 27 | 121345.99637 14662.91078 28 | 121196.10174 15038.67350 29 | 121056.19819 15427.16178 30 | 120916.29168 15830.54579 31 | 120776.39265 16249.60266 32 | 120636.48365 16687.24206 33 | 120496.58435 17139.89721 34 | 120356.67734 17612.10937 35 | 120216.77306 18105.28987 36 | 120076.87257 18617.03711 37 | 119936.96782 19151.48804 38 | 119797.06916 19710.55416 39 | 119657.15940 20291.79098 40 | 119527.25569 20898.63955 41 | 119387.34940 21534.14208 42 | 119247.44453 22198.20125 43 | 119107.54225 22894.81225 44 | 118977.63068 23623.85529 45 | 118837.73148 24385.98318 46 | 118697.82920 25188.71136 47 | 118567.91495 26029.52294 48 | 118428.01332 26913.00329 49 | 118298.10104 27840.31483 50 | 118158.20438 28818.26612 51 | 118028.28923 29848.35581 52 | 117888.38417 30928.82790 53 | 117758.47904 32075.25687 54 | 117628.56944 33280.53847 55 | 117488.66128 34563.60087 56 | 117358.75013 35919.16007 57 | 117228.84614 37352.64023 58 | 117088.94465 38877.20826 59 | 116959.02773 40493.46421 60 | 116829.12089 42216.21699 61 | 116699.20770 44038.30248 62 | 116569.29780 46000.98924 63 | 116429.39552 48087.61423 64 | 116299.49156 50315.70063 65 | 116169.57663 52709.62824 66 | 116039.66893 55283.74514 67 | 115909.76082 58032.95251 68 | 115779.84479 61014.73999 69 | 115649.93882 64218.85647 70 | 115530.02082 67691.64297 71 | 115400.10688 71445.72640 72 | 115270.19736 75553.32377 73 | 115140.29321 79995.79365 74 | 115010.37855 84859.36646 75 | 114880.47124 90186.79184 76 | 114760.55084 96030.99828 77 | 114630.64685 102486.78402 78 | 114500.73636 109616.33050 79 | 114380.81627 117530.51627 80 | 114250.90638 126352.72248 81 | 114130.98661 136222.30977 82 | 114001.08101 147344.79213 83 | 113871.16552 159913.58465 84 | 113751.25094 174189.84133 85 | 113621.34539 190581.08933 86 | 113501.42330 209433.69234 87 | 113381.50877 231347.48811 88 | 113251.59723 257117.61528 89 | 113131.68038 287577.36581 90 | 113001.77171 324155.10063 91 | 112881.85613 368614.46071 92 | 112761.93589 423466.49763 93 | 112642.01993 492456.12866 94 | 112512.11323 581303.12225 95 | 112392.18928 698228.94591 96 | 112272.27209 857268.44861 97 | 112152.36247 1080303.96138 98 | 112032.44516 1402023.15673 99 | 111912.52107 1870509.54152 100 | 111782.61315 2510226.89467 101 | 111662.69945 3182902.94913 102 | 111542.78158 3517036.06045 103 | 111422.86031 3442055.32276 104 | 111302.94439 3389513.72367 105 | 111183.02681 3690615.37518 106 | 111063.11616 4504199.19389 107 | 110953.19080 5962799.42191 108 | 110833.27498 8028838.03591 109 | 110713.35290 9849088.94513 110 | 110593.44110 9759898.35276 111 | 110473.51696 7794786.69365 112 | 110353.60470 5591834.12867 113 | 110243.67905 3952118.98771 114 | 110123.76343 2859719.99473 115 | 110003.84664 2140813.56203 116 | 109893.92479 1658320.40486 117 | 109774.00178 1325959.73409 118 | 109654.08777 1091064.99976 119 | 109544.16106 922631.00650 120 | 109424.24559 801697.04736 121 | 109314.32288 716573.39520 122 | 109194.40915 660338.94395 123 | 109084.48563 626400.72680 124 | 108964.56166 608931.71260 125 | 108854.64035 609552.54878 126 | 108734.72445 638745.41077 127 | 108624.80067 710127.58911 128 | 108504.88100 838373.62714 129 | 108394.95776 1024934.92359 130 | 108285.03322 1225932.07612 131 | 108165.11780 1379285.61675 132 | 108055.19811 1481879.66633 133 | 107945.27177 1504640.75150 134 | 107835.34696 1405788.68009 135 | 107715.42831 1189069.72450 136 | 107605.50674 947633.88107 137 | 107495.58141 770703.17566 138 | 107385.66030 668269.70727 139 | 107275.73679 608151.00731 140 | 107165.81161 559739.76412 141 | 107055.88543 521062.56366 142 | 106945.96623 489048.14144 143 | 106836.04011 444036.37587 144 | 106726.11513 389583.62305 145 | 106616.19191 342457.84344 146 | 106506.26393 303628.52446 147 | 106396.34638 271474.56365 148 | 106286.41826 247546.50157 149 | 106176.49471 231573.52129 150 | 106066.56926 223602.24493 151 | 105956.64973 223892.48403 152 | 105846.72260 228331.64578 153 | 105736.80282 226049.15455 154 | 105636.87228 214091.97005 155 | 105526.94844 202550.79987 156 | 105417.01980 197124.94500 157 | 105307.09414 197151.22215 158 | 105207.16397 200629.31545 159 | 105097.23964 206594.85163 160 | 104987.32039 216540.13103 161 | 104887.38696 236500.49191 162 | 104777.46594 269583.08194 163 | 104677.53405 311942.89063 164 | 104567.60698 362314.44020 165 | 104457.68842 409913.77480 166 | 104357.75554 410517.50935 167 | 104247.82805 346183.85542 168 | 104147.90279 263580.07475 169 | 104037.97596 197996.17481 170 | 103938.04690 152848.21892 171 | 103838.11748 122375.86110 172 | 103728.19299 101394.16946 173 | 103628.25660 86423.66977 174 | 103518.33259 75363.95403 175 | 103418.40528 66933.11264 176 | 103318.47373 60312.28613 177 | 103208.54823 54992.10139 178 | 103108.62258 50619.94010 179 | 103008.68771 46964.26979 180 | 102908.75774 43848.99661 181 | 102808.82642 41165.16330 182 | 102698.90179 38830.21390 183 | 102598.96889 36762.83493 184 | 102499.04315 34924.28655 185 | 102399.11173 33275.20192 186 | 102299.18186 31784.00958 187 | 102199.24753 30426.77574 188 | 102099.31589 29188.98746 189 | 101999.38755 28048.52552 190 | 101889.46220 26998.69574 191 | 101789.53530 26023.33020 192 | 101689.60025 25115.40624 193 | 101589.67084 24268.58269 194 | 101499.73566 23473.52096 195 | 101399.79948 22728.58916 196 | 101299.87054 22028.61235 197 | 101199.94289 21368.61239 198 | 101100.01059 20743.96424 199 | 101000.08079 20153.40409 200 | 100900.14751 19592.99539 201 | 100800.21789 19060.41545 202 | 100710.28058 18552.12258 203 | 100610.34651 18069.57049 204 | 100510.41775 17608.94278 205 | 100410.48844 17169.27166 206 | 100320.54700 16747.27445 207 | 100220.61767 16344.38075 208 | 100120.68954 15958.83406 209 | 100020.75676 15588.99732 210 | --------------------------------------------------------------------------------