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update log files for rigid, shear, snap, srd, streitz, threebody, vashsista, and voronoi examples

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Axel Kohlmeyer
2018-11-29 18:22:18 -05:00
parent 4b8c6d40e2
commit 5d2730f055
77 changed files with 7304 additions and 12018 deletions
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70
examples/rdf-adf/spce-adf.dat.ref
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@ -12,38 +12,38 @@
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9 34 0 0 0 0
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15 58 0.00712558 1.15264 0 0
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17 66 0.00753965 1.81511 0 0
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19 74 0.00958735 2.65613 0 0
20 78 0.0102438 3.12873 5.076e-06 2e-05
21 82 0.0108097 3.62739 2.62642e-05 0.000123333
22 86 0.0112538 4.14651 0.000100091 0.000516667
23 90 0.0115997 4.68151 0.000173925 0.0012
24 94 0.0118726 5.22921 0.00025685 0.00221
25 98 0.0118616 5.77635 0.000341943 0.00355333
26 102 0.0117868 6.32011 0.000488452 0.00547333
27 106 0.0115064 6.85083 0.000753934 0.00843667
28 110 0.0111827 7.36672 0.00118587 0.0130967
29 114 0.0106304 7.85709 0.00157663 0.0192933
30 118 0.0100947 8.32278 0.00223856 0.0280933
31 122 0.009349 8.75409 0.00295997 0.0397267
32 126 0.008637 9.15256 0.00363466 0.05401
33 130 0.00785049 9.51475 0.00480604 0.0728967
34 134 0.00712391 9.8434 0.00617924 0.09718
35 138 0.00633303 10.1356 0.00801778 0.12869
36 142 0.00574158 10.4005 0.0105777 0.170257
37 146 0.00509275 10.6354 0.0138935 0.224857
38 150 0.0045349 10.8446 0.0182593 0.296613
39 154 0.00398109 11.0283 0.0234156 0.38863
40 158 0.00334665 11.1827 0.0283932 0.500213
41 162 0.00273371 11.3088 0.032517 0.627997
42 166 0.00212695 11.407 0.0330644 0.757927
43 170 0.00153822 11.4779 0.0292715 0.872957
44 174 0.000912858 11.52 0.0205789 0.953827
45 178 0.000296337 11.5337 0.00728348 0.98245
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27 106 0.011572 6.83302 0.000770416 0.00828
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29 114 0.0106638 7.83854 0.00161896 0.01915
30 118 0.0100445 8.30067 0.00220659 0.0278433
31 122 0.0092193 8.72479 0.00273188 0.0386067
32 126 0.00860698 9.12078 0.00353887 0.05255
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34 134 0.0071613 9.81317 0.00589308 0.09404
35 138 0.00645327 10.1101 0.00794474 0.125337
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37 146 0.00512532 10.6109 0.0139526 0.220907
38 150 0.0045258 10.8192 0.0181886 0.292553
39 154 0.00394488 11.0007 0.0234856 0.385067
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41 162 0.00274518 11.282 0.0325617 0.625923
42 166 0.00211836 11.3794 0.0335082 0.757917
43 170 0.00149999 11.4485 0.0296222 0.874607
44 174 0.000895422 11.4897 0.0205701 0.955633
45 178 0.00028968 11.503 0.00741112 0.984827

176
examples/rdf-adf/spce-rdf.dat.ref
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@ -14,91 +14,91 @@
10 1.14 0 0 0 0 0 2
11 1.26 0 0 0 0 0 2
12 1.38 0 0 0 0 0 2
13 1.5 0 0 0.00146316 0.000333333 0.0485606 2.01107
14 1.62 0 0 3.77986 1.00467 0.691259 2.1948
15 1.74 0 0 0.087001 1.03133 1.5081 2.6572
16 1.86 0 0 0.261354 1.12287 1.29225 3.10993
17 1.98 0 0 0.557712 1.3442 0.791284 3.42407
18 2.1 0 0 0.890071 1.74153 0.441155 3.62107
19 2.22 0 0 1.18482 2.3326 0.280275 3.76093
20 2.34 0 0 1.33539 3.07273 0.203573 3.8738
21 2.46 0.0296137 0.00906667 1.31236 3.8766 0.199433 3.996
22 2.58 0.910251 0.3156 1.12596 4.6352 0.252635 4.16627
23 2.7 2.74616 1.3284 0.92755 5.3196 0.399944 4.46147
24 2.82 2.69277 2.41173 0.776668 5.94473 0.620912 4.9614
25 2.94 1.69749 3.154 0.715559 6.57073 0.927784 5.77333
26 3.06 1.12844 3.68853 0.734337 7.26667 1.28373 6.99033
27 3.18 0.894502 4.14613 0.785685 8.0708 1.53008 8.55687
28 3.3 0.830879 4.60387 0.853285 9.01127 1.55205 10.2681
29 3.42 0.837147 5.0992 0.940998 10.1252 1.42789 11.9589
30 3.54 0.87264 5.6524 1.02352 11.4233 1.30488 13.6145
31 3.66 0.890146 6.2556 1.10007 12.9147 1.15043 15.1747
32 3.78 0.923629 6.9232 1.14816 14.5751 1.05067 16.6945
33 3.9 0.948076 7.65267 1.1789 16.3898 0.995284 18.2271
34 4.02 1.02003 8.48653 1.14251 18.2584 0.987649 19.843
35 4.14 1.05003 9.39693 1.09918 20.1651 0.973183 21.5317
36 4.26 1.0578 10.368 1.05588 22.1043 0.968154 23.3104
37 4.38 1.08788 11.4237 1.04202 24.1275 0.95294 25.1612
38 4.5 1.0991 12.5496 1.02603 26.2302 0.948747 27.1062
39 4.62 1.08758 13.7239 1.0199 28.4333 0.952182 29.1637
40 4.74 1.08319 14.9549 1.0085 30.7265 0.958425 31.3437
41 4.86 1.06718 16.23 1.0021 33.1219 0.966773 33.6555
42 4.98 1.0236 17.5141 0.983127 35.5894 0.975683 36.1051
43 5.1 0.979245 18.8025 0.968484 38.1387 0.993353 38.7208
44 5.22 0.967438 20.136 0.960781 40.7882 1.0117 41.5116
45 5.34 0.9397 21.4915 0.95327 43.5392 1.02048 44.4575
46 5.46 0.933775 22.8996 0.957903 46.4292 1.02138 47.5401
47 5.58 0.905728 24.3261 0.96475 49.4692 1.01134 50.7279
48 5.7 0.908316 25.8189 0.985709 52.7103 1.00699 54.0401
49 5.82 0.922062 27.3988 0.992001 56.1108 0.993731 57.4477
50 5.94 0.933444 29.0648 1.00316 59.6929 0.985977 60.9695
51 6.06 0.967112 30.8613 1.00148 63.4149 0.975667 64.5968
52 6.18 0.995762 32.7851 1.00378 67.2946 0.966562 68.3339
53 6.3 1.01856 34.83 1.01103 71.3556 0.980183 72.2723
54 6.42 1.02375 36.9644 1.00763 75.5586 0.975791 76.3439
55 6.54 1.02443 39.1808 1.0048 79.9079 0.988272 80.6231
56 6.66 1.04424 41.5237 0.994556 84.3723 0.992933 85.0817
57 6.78 1.02624 43.91 0.993082 88.9922 1.00275 89.7481
58 6.9 1.05342 46.4469 0.995881 93.7905 1.0039 94.5867
59 7.02 1.04804 49.0595 1.0028 98.7917 1.0061 99.606
60 7.14 1.03565 51.7301 0.999035 103.946 1.00976 104.817
61 7.26 1.01185 54.4279 0.999229 109.276 1.01388 110.227
62 7.38 1.00714 57.2025 0.997563 114.774 1.02243 115.864
63 7.5 0.997335 60.0403 1.00429 120.491 1.01948 121.67
64 7.62 0.98964 62.9469 1.00029 126.369 1.01107 127.613
65 7.74 0.986472 65.9363 1.01014 132.493 1.0127 133.755
66 7.86 0.976805 68.9888 1.0082 138.797 1.00837 140.061
67 7.98 0.980184 72.1461 1.00972 145.304 1.00029 146.51
68 8.1 0.99097 75.4349 1.00403 151.97 0.999714 153.15
69 8.22 0.988581 78.8137 1.00883 158.869 1.00011 159.991
70 8.34 1.0046 82.3483 1.00269 165.927 0.994842 166.996
71 8.46 0.987279 85.9225 0.997968 173.155 0.990283 174.171
72 8.58 1.00046 89.648 0.999277 180.6 0.990097 181.55
73 8.7 1.00036 93.478 0.999683 188.257 0.987047 189.113
74 8.82 1.00138 97.4184 0.995158 196.091 0.991812 196.923
75 8.94 1.02075 101.545 0.999836 204.178 0.991287 204.944
76 9.06 1.00201 105.705 0.99005 212.403 0.996973 213.228
77 9.18 0.990377 109.927 0.994103 220.881 1.00126 221.77
78 9.3 1.0021 114.311 0.998366 229.619 0.997051 230.5
79 9.42 1.00911 118.841 0.996714 238.57 1.00147 239.496
80 9.54 1.00129 123.45 0.997009 247.752 1.00442 248.751
81 9.66 0.994425 128.144 0.999099 257.187 1.0036 258.231
82 9.78 0.99875 132.976 1.00089 266.876 1.00798 267.991
83 9.9 1.00475 137.958 1.00485 276.842 1.00223 277.935
84 10.02 1.00821 143.078 1.00531 287.057 1.00199 288.119
85 10.14 1.00146 148.286 1.00396 297.503 1.00607 298.591
86 10.26 0.987716 153.546 1.00115 308.168 1.00195 309.269
87 10.38 0.996668 158.978 0.999956 319.072 0.999207 320.167
88 10.5 1.00737 164.595 1.00266 330.259 0.999525 331.323
89 10.62 1.00322 170.319 1.00368 341.714 0.991347 342.642
90 10.74 1.00197 176.165 1.00151 353.405 1.00118 354.333
91 10.86 1.01265 182.206 0.997669 365.313 1.00021 366.275
92 10.98 1.00566 188.339 1.00218 377.54 0.998434 378.46
93 11.1 1.00615 194.61 0.998681 389.992 1.00219 390.96
94 11.22 0.989815 200.913 0.994781 402.666 0.996803 403.664
95 11.34 0.995666 207.389 0.998115 415.655 0.99786 416.654
96 11.46 0.990077 213.966 0.999458 428.938 1.00053 429.956
97 11.58 0.992053 220.695 0.997809 442.479 0.994388 443.455
98 11.7 1.00038 227.622 0.999064 456.319 1.00445 457.374
99 11.82 0.99774 234.673 1.00106 470.473 0.998027 471.49
100 11.94 1.00539 241.923 0.99896 484.885 1.00035 485.927
13 1.5 0 0 0.00175579 0.0004 0.0526561 2.012
14 1.62 0 0 3.78111 1.00507 0.697028 2.19727
15 1.74 0 0 0.0891761 1.0324 1.47939 2.65087
16 1.86 0 0 0.258879 1.12307 1.31357 3.11107
17 1.98 0 0 0.547465 1.34033 0.778689 3.4202
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20 2.34 0 0 1.32397 3.0688 0.200928 3.8702
21 2.46 0.0344041 0.0105333 1.298 3.86387 0.19965 3.99253
22 2.58 0.933215 0.3248 1.14238 4.63353 0.260351 4.168
23 2.7 2.69772 1.31973 0.918695 5.3114 0.409066 4.46993
24 2.82 2.69973 2.40587 0.788843 5.94633 0.622485 4.97113
25 2.94 1.68742 3.14373 0.716931 6.57353 0.921309 5.7774
26 3.06 1.17854 3.702 0.725122 7.26073 1.28872 6.99913
27 3.18 0.877821 4.15107 0.783927 8.06307 1.52077 8.55613
28 3.3 0.823134 4.60453 0.856914 9.00753 1.55623 10.2719
29 3.42 0.848865 5.1068 0.944321 10.1254 1.42361 11.9577
30 3.54 0.859179 5.65147 1.02168 11.4212 1.28943 13.5937
31 3.66 0.902739 6.2632 1.1038 12.9177 1.14738 15.1497
32 3.78 0.926027 6.93253 1.1595 14.5944 1.0656 16.6912
33 3.9 0.958993 7.6704 1.17188 16.3983 0.99537 18.2239
34 4.02 0.998828 8.48693 1.14666 18.2737 0.993965 19.8501
35 4.14 1.04388 9.392 1.10034 20.1824 0.968649 21.5309
36 4.26 1.06085 10.3659 1.0577 22.125 0.960389 23.2954
37 4.38 1.07881 11.4128 1.03302 24.1307 0.96849 25.1764
38 4.5 1.08582 12.5251 1.01926 26.2195 0.952324 27.1287
39 4.62 1.10128 13.7141 1.01049 28.4023 0.950238 29.1821
40 4.74 1.08014 14.9417 1.00533 30.6883 0.95441 31.3529
41 4.86 1.06986 16.22 1.00062 33.0801 0.95827 33.6443
42 4.98 1.03848 17.5228 0.984535 35.5512 0.980463 36.106
43 5.1 0.978536 18.8103 0.979628 38.1299 0.98282 38.6939
44 5.22 0.971985 20.15 0.961821 40.7822 1.01254 41.4871
45 5.34 0.94275 21.5099 0.957683 43.5459 1.02253 44.4389
46 5.46 0.91839 22.8948 0.956334 46.4312 1.01667 47.5073
47 5.58 0.913178 24.3331 0.97006 49.4879 1.02157 50.7274
48 5.7 0.917321 25.8407 0.98508 52.7269 1.00299 54.0264
49 5.82 0.906654 27.3941 0.985116 56.1039 0.993109 57.4319
50 5.94 0.926646 29.048 1.00072 59.6772 0.984428 60.9482
51 6.06 0.976372 30.8617 1.00731 63.4209 0.983091 64.6031
52 6.18 0.988791 32.772 1.00833 67.3182 0.970493 68.3554
53 6.3 1.01384 34.8075 1.0079 71.3666 0.975255 72.274
54 6.42 1.02791 36.9505 1.00939 75.5769 0.983508 76.3777
55 6.54 1.03645 39.1929 1.00148 79.9119 0.990828 80.668
56 6.66 1.04864 41.5457 0.998046 84.3919 0.993913 85.131
57 6.78 1.03771 43.9587 0.997997 89.0347 0.998581 89.778
58 6.9 1.04218 46.4685 0.993391 93.821 1.00659 94.6295
59 7.02 1.05285 49.0931 1.00509 98.8336 1.01027 99.6697
60 7.14 1.02748 51.7427 0.998338 103.984 1.01201 104.893
61 7.26 1.0231 54.4704 0.998866 109.312 1.0124 110.295
62 7.38 1.01372 57.2632 1.00397 114.846 1.0199 115.918
63 7.5 0.988947 60.0771 1.00531 120.569 1.02265 121.741
64 7.62 0.980062 62.9556 1.00466 126.472 1.01237 127.692
65 7.74 0.989464 65.954 1.00649 132.574 1.00737 133.802
66 7.86 0.989093 69.0449 1.00774 138.875 1.00819 140.107
67 7.98 0.98097 72.2048 1.00692 145.364 0.999231 146.549
68 8.1 0.977431 75.4487 1.00046 152.007 1.00085 153.196
69 8.22 0.985577 78.8172 1.00522 158.88 0.995709 160.007
70 8.34 0.992739 82.31 1.00494 165.954 0.989474 166.974
71 8.46 0.991994 85.9013 0.997194 173.177 0.993918 174.176
72 8.58 1.00368 89.6388 0.998087 180.612 0.989104 181.547
73 8.7 1.0116 93.5119 0.998012 188.257 0.990205 189.134
74 8.82 1.00751 97.4764 0.991686 196.064 0.989992 196.931
75 8.94 1.00977 101.559 1.00219 204.17 0.994295 204.976
76 9.06 0.999123 105.707 0.994424 212.431 0.997422 213.264
77 9.18 0.998916 109.965 0.994158 220.909 0.999422 221.79
78 9.3 0.994577 114.316 0.996797 229.634 1.00194 230.563
79 9.42 1.00825 118.842 0.999476 238.609 0.999165 239.538
80 9.54 0.998167 123.437 1.0022 247.84 1.00643 248.811
81 9.66 0.997363 128.145 0.999346 257.277 1.00494 258.304
82 9.78 1.0017 132.991 0.998169 266.939 1.00407 268.026
83 9.9 1.00266 137.962 0.999727 276.855 1.00037 277.952
84 10.02 0.997976 143.03 1.00404 287.057 1.00406 288.157
85 10.14 0.999388 148.228 1.00641 297.529 1.00094 298.576
86 10.26 0.999911 153.552 1.00311 308.215 0.999732 309.229
87 10.38 1.00403 159.024 0.997204 319.088 0.999567 320.132
88 10.5 1.00586 164.634 1.00433 330.294 0.997524 331.265
89 10.62 1.00479 170.366 1.00278 341.739 0.999381 342.676
90 10.74 1.0057 176.234 1.00313 353.449 0.999143 354.343
91 10.86 0.99951 182.197 1.00108 365.397 1.00255 366.313
92 10.98 1.004 188.319 1.00128 377.613 0.998276 378.496
93 11.1 1.0075 194.599 0.996323 390.036 1.00332 391.011
94 11.22 0.998232 200.955 0.997973 402.75 1.00385 403.804
95 11.34 0.99788 207.446 0.996466 415.718 1.00156 416.842
96 11.46 0.994593 214.053 0.999307 428.999 0.999586 430.132
97 11.58 0.998619 220.827 0.999303 442.56 0.998194 443.682
98 11.7 0.993817 227.708 0.99877 456.397 0.9981 457.514
99 11.82 1.00212 234.79 1.00325 470.581 0.994609 471.581
100 11.94 0.999696 241.999 0.999589 485.003 0.998572 485.993