| /dports/science/py-MDAnalysisTests/MDAnalysisTests-0.19.2/MDAnalysisTests/data/ |
| H A D | 2r9r-1b.xyz | 3 H 0.931 17.318 16.423
4 H 1.861 17.065 16.171
5 H 0.486 18.665 16.143
6 H 1.659 19.666 15.887
7 H 2.531 19.430 14.757
8 H 2.567 19.704 17.045
9 H -0.385 18.724 14.935
10 H -0.223 17.810 14.134
11 H -1.245 19.744 14.706
12 H -1.463 20.511 15.304
[all …]
|
| /dports/games/vt100-art-and-animations/vt100-art-and-animations-2020.04.09/ |
| H A D | cert18.vt | 63 …H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17…
103 …H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17…
143 …H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17…
183 …H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17…
223 …H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17…
263 …H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17…
308 …H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17…
353 …H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17…
398 …H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17…
443 …H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17H[1;9H[1;17…
[all …]
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| H A D | cowboom.vt | 201 [1;1H[1;2H[1;3H[1;4H[1;5H[1;6H[1;7H[1;8H[1;9H[1;10H[1;11H[1;12H
203 [1;1H[1;2H[1;3H[1;4H[1;5H[1;6H[1;7H[1;8H[1;9H[1;10H[1;11H[1;12H
205 [1;1H[1;2H[1;3H[1;4H[1;5H[1;6H[1;7H[1;8H[1;9H[1;10H[1;11H[1;12H
207 [1;1H[1;2H[1;3H[1;4H[1;5H[1;6H[1;7H[1;8H[1;9H[1;10H[1;11H[1;12H
209 [1;1H[1;2H[1;3H[1;4H[1;5H[1;6H[1;7H[1;8H[1;9H[1;10H[1;11H[1;12H
212 [1;1H[1;2H[1;3H[1;4H[1;5H[1;6H[1;7H[1;8H[1;9H[1;10H[1;11H[1;12H
214 [1;1H[1;2H[1;3H[1;4H[1;5H[1;6H[1;7H[1;8H[1;9H[1;10H[1;11H[1;12H
216 [1;1H[1;2H[1;3H[1;4H[1;5H[1;6H[1;7H[1;8H[1;9H[1;10H[1;11H[1;12H
218 [1;1H[1;2H[1;3H[1;4H[1;5H[1;6H[1;7H[1;8H[1;9H[1;10H[1;11H[1;12H
220 [1;1H[1;2H[1;3H[1;4H[1;5H[1;6H[1;7H[1;8H[1;9H[1;10H[1;11H[1;12H
[all …]
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| /dports/science/tinker/tinker/example/ |
| H A D | waterhuge.xyz | 3 2 H -2.603766 14.476160 -1.273219 2 1
4 3 H -3.543810 15.582853 -1.332255 2 1
6 5 H -10.289466 -3.650951 -8.469188 2 4
7 6 H -10.287341 -5.026283 -9.197981 2 4
9 8 H -1.688057 12.307974 -16.749344 2 7
10 9 H -1.030979 13.732442 -16.805708 2 7
12 11 H -15.031721 23.768527 -20.680539 2 10
13 12 H -14.918601 22.330280 -20.137210 2 10
15 14 H 3.731726 -21.614069 -10.414392 2 13
16 15 H 3.537775 -20.295515 -9.558323 2 13
[all …]
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| H A D | waterball.xyz | 3 2 H 11.169235 4.161656 0.335991 2 1
4 3 H 11.063187 5.418321 -0.540192 2 1
6 5 H -0.711968 -10.605467 5.876214 2 4
7 6 H -1.355882 -11.742380 5.307657 2 4
9 8 H -9.887392 0.517167 9.601262 2 7
10 9 H -9.177889 -0.731668 8.985376 2 7
12 11 H 10.732655 4.593594 -9.965901 2 10
13 12 H 10.179270 3.737681 -8.856970 2 10
15 14 H 6.119676 8.857375 2.684619 2 13
16 15 H 7.546058 9.178451 2.998006 2 13
[all …]
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| H A D | waterglobe.xyz | 3 2 H -4.943301 -2.245003 -25.726827 2 1
4 3 H -6.289330 -1.669139 -26.112159 2 1
6 5 H 4.927050 -27.865997 -3.292660 2 4
7 6 H 4.282919 -26.596030 -2.778680 2 4
9 8 H -24.048604 -9.928160 -19.067516 2 7
10 9 H -22.939564 -8.957302 -18.722033 2 7
12 11 H -16.851872 -26.681810 -2.220819 2 10
13 12 H -16.871481 -25.719980 -1.051891 2 10
15 14 H -8.804185 -13.818479 -14.273479 2 13
16 15 H -8.070169 -12.803692 -13.422995 2 13
[all …]
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| H A D | iceIX.xyz | 5 3 H -0.119126 2.212540 1.462571 2 1
6 4 H 0.782353 1.066115 1.991057 2 1
7 5 H 2.003065 2.405285 0.715840 2 2
10 8 H 0.119126 -2.212540 -1.895029 2 6
11 9 H -0.782353 -1.066115 -1.366543 2 6
12 10 H -2.003065 -2.405285 4.073440 2 7
15 13 H 1.133710 -3.465376 -3.573829 2 11
16 14 H 2.280135 -2.563897 -3.045343 2 11
17 15 H 0.940965 -1.343185 2.394640 2 12
20 18 H -1.133710 3.465376 -0.216229 2 16
[all …]
|
| H A D | iceIh.xyz | 4 2 H -12.430375 -14.291090 -14.296300 2 1
5 3 H -13.187215 -13.854120 -13.060370 2 1
7 5 H -10.897735 -13.489250 -12.758340 2 4
8 6 H -9.384046 -13.489250 -12.758340 2 4
10 8 H -12.358465 -15.206530 -9.078340 2 7
11 9 H -11.601625 -13.895630 -9.078340 2 7
13 11 H -10.140885 -12.969250 -10.616300 2 10
14 12 H -10.140885 -12.095320 -9.380370 2 10
16 14 H -10.104935 -11.303300 -13.001660 2 13
17 15 H -9.348095 -9.992400 -13.001660 2 13
[all …]
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| H A D | iceII.xyz | 4 2 H 1.653038 1.371655 -1.038298 2 1
5 3 H 2.596559 1.480885 -0.016394 2 1
7 5 H 2.706814 -3.863677 2.191356 2 4
8 6 H 2.971733 -2.791400 1.109340 2 4
10 8 H -2.192457 0.861967 0.377066 2 7
11 9 H -1.909713 2.008333 1.120269 2 7
13 11 H 2.771809 4.125037 -1.535588 2 10
14 12 H 1.271049 3.772920 -1.415364 2 10
16 14 H 0.613130 -2.122046 0.901680 2 13
17 15 H 0.343423 -1.929695 2.256933 2 13
[all …]
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| H A D | dhfr2.xyz | 6 5 H -24.233137 -41.299412 -22.126396 232 1
7 6 H -23.023229 -41.555302 -23.134736 232 1
8 7 H -23.755666 -42.810113 -22.478406 232 1
9 8 H -24.410483 -42.637479 -24.756872 12 2
14 13 H -26.489170 -41.960077 -22.594486 176 9
15 14 H -26.331198 -43.427989 -23.585601 176 9
16 15 H -27.113289 -41.934661 -25.614040 178 10
17 16 H -27.511511 -40.661721 -24.447559 178 10
18 17 H -30.415197 -42.202589 -22.347002 181 12
19 18 H -29.421801 -40.739981 -22.728787 181 12
[all …]
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| H A D | waterbig.xyz | 3 2 H 7.593339 15.479832 -4.718147 2 1
4 3 H 7.125906 14.561598 -3.608981 2 1
6 5 H -17.441620 8.299282 -9.496251 2 4
7 6 H -17.131874 8.755980 -8.086506 2 4
9 8 H 5.725156 -18.100262 -12.268180 2 7
10 9 H 5.669130 -18.466271 -10.800259 2 7
12 11 H 16.249850 -1.613440 15.454617 2 10
13 12 H 17.450838 -1.447485 16.361248 2 10
15 14 H -3.903604 -10.268331 -6.683119 2 13
16 15 H -4.771821 -11.384436 -6.142373 2 13
[all …]
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| H A D | iceXIII.xyz | 10 8 H 2.139390 -2.669889 2.916283 2 1
11 9 H 1.127213 -3.779540 3.198411 2 1
12 10 H 0.450366 -2.101986 1.515343 2 3
13 11 H 3.220257 -0.691197 3.449514 2 2
14 12 H 3.786831 -1.868847 4.301712 2 2
15 13 H -0.640838 -1.862122 0.463425 2 3
16 14 H 1.849055 3.394711 0.958845 2 5
17 15 H 4.277175 3.664465 -4.094237 2 4
18 16 H 3.265419 2.656438 -4.714723 2 4
19 17 H 2.872352 2.792436 -0.093073 2 5
[all …]
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| /dports/biology/seqan-apps/seqan-seqan-v2.4.0/apps/razers/ |
| H A D | param_tabs.inc | 3 { 15, 'H', 0, "1111100001", 5, 0.0, 42816 },
4 { 15, 'H', 0, "1111100011", 5, 0.0, 42710 },
5 { 15, 'H', 0, "111111", 9, 0.0, 42766 },
6 { 15, 'H', 0, "11111100011", 4, 0.0, 42699 },
7 { 15, 'H', 0, "11111101110101", 1, 0.0, 42699 },
8 { 15, 'H', 0, "1111111", 8, 0.0, 42710 },
9 { 15, 'H', 0, "111111100011", 3, 0.0, 42699 },
12 { 15, 'H', 0, "11111111", 7, 0.0, 42701 },
13 { 15, 'H', 0, "111111111", 6, 0.0, 42700 },
14 { 15, 'H', 0, "1111111111", 5, 0.0, 42699 },
[all …]
|
| /dports/biology/seqan-apps/seqan-seqan-v2.4.0/apps/razers3/ |
| H A D | param_tabs.inc | 3 { 15, 'H', 0, "1111100001", 5, 0.0, 42816 },
4 { 15, 'H', 0, "1111100011", 5, 0.0, 42710 },
5 { 15, 'H', 0, "111111", 9, 0.0, 42766 },
6 { 15, 'H', 0, "11111100011", 4, 0.0, 42699 },
7 { 15, 'H', 0, "11111101110101", 1, 0.0, 42699 },
8 { 15, 'H', 0, "1111111", 8, 0.0, 42710 },
9 { 15, 'H', 0, "111111100011", 3, 0.0, 42699 },
12 { 15, 'H', 0, "11111111", 7, 0.0, 42701 },
13 { 15, 'H', 0, "111111111", 6, 0.0, 42700 },
14 { 15, 'H', 0, "1111111111", 5, 0.0, 42699 },
[all …]
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| /dports/science/mdynamix/md528/sample/ |
| H A D | NaCl.001 | 4 H 4.358 -0.660 -8.299
5 H 5.302 -1.891 -8.809
7 H -6.308 -2.290 9.062
8 H -7.393 -3.284 9.770
10 H 6.392 -5.031 0.224
11 H 7.725 -5.572 0.995
13 H -6.193 0.555 -2.616
14 H -7.591 1.355 -2.345
16 H -9.435 -9.795 8.941
17 H -9.449 -8.203 9.303
[all …]
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| /dports/science/tinker/tinker/bench/ |
| H A D | bench9.xyz | 6 5 H 11.593503 35.057881 -3.074074 232 1
7 6 H 11.751446 35.925385 -4.533659 232 1
8 7 H 11.657301 34.360234 -4.534708 232 1
9 8 H 9.614569 36.190592 -3.703893 12 2
11 10 H 8.281687 34.933947 -5.732014 14 9
12 11 H 9.943569 34.367642 -6.152345 14 9
13 12 H 9.590368 36.081059 -6.190783 14 9
19 18 H 7.197874 32.346427 -2.495862 12 14
24 23 H 9.341774 30.142576 -3.074702 148 19
25 24 H 8.014130 30.493837 -4.129598 148 19
[all …]
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| H A D | bench7.xyz | 6 5 H -21.420973 -41.732685 -25.366937 232 1
7 6 H -21.846631 -42.882573 -24.324106 232 1
8 7 H -21.947289 -41.269110 -23.976466 232 1
9 8 H -23.602425 -43.036905 -25.519644 12 2
14 13 H -25.134720 -41.057410 -23.976428 176 9
15 14 H -23.893194 -41.509280 -22.862472 176 9
16 15 H -25.962876 -43.016948 -22.811485 178 10
17 16 H -24.587829 -44.103930 -23.437776 178 10
18 17 H -27.955563 -42.618872 -26.018947 181 12
19 18 H -26.678259 -41.267905 -25.738718 181 12
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/benchmarks/QS_ot_ls/ |
| H A D | H2O-65536.inp | 8234 H -53.4056510000 -57.2057790000 -53.0481330000
8235 H -54.3050070000 -56.4504370000 -54.0033880000
8236 H -50.2894550000 -48.6121870000 -45.7297080000
8237 H -51.7945650000 -48.7529800000 -45.8116540000
8238 H -39.9945560000 -46.5069770000 -48.2850960000
8239 H -40.7066320000 -46.4824990000 -49.6208510000
8240 H -62.7442090000 -49.4040800000 0.3814980000
8241 H -62.3542100000 -48.5564530000 -0.8106950000
8242 H -51.0889950000 -54.1278540000 -7.3392460000
8243 H -52.4108620000 -53.6123260000 -6.8112380000
[all …]
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| H A D | H2O-4096.inp | 4139 H 11.479692 24.735813 12.156585
4140 H 10.786844 24.621021 10.815436
4141 H 13.638718 10.549016 6.980489
4142 H 12.393336 11.240682 6.468126
4143 H 18.171302 8.777606 20.480456
4144 H 18.168498 10.158064 21.101925
4145 H 8.017314 18.707927 8.663439
4146 H 6.887424 18.521766 7.673193
4147 H 3.845881 14.604086 23.006929
4148 H 3.605530 16.071943 23.288927
[all …]
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/benchmarks/QS_ot_ls/ |
| H A D | H2O-65536.inp | 8234 H -53.4056510000 -57.2057790000 -53.0481330000
8235 H -54.3050070000 -56.4504370000 -54.0033880000
8236 H -50.2894550000 -48.6121870000 -45.7297080000
8237 H -51.7945650000 -48.7529800000 -45.8116540000
8238 H -39.9945560000 -46.5069770000 -48.2850960000
8239 H -40.7066320000 -46.4824990000 -49.6208510000
8240 H -62.7442090000 -49.4040800000 0.3814980000
8241 H -62.3542100000 -48.5564530000 -0.8106950000
8242 H -51.0889950000 -54.1278540000 -7.3392460000
8243 H -52.4108620000 -53.6123260000 -6.8112380000
[all …]
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/benchmarks/QS/ |
| H A D | H2O-8192.inp | 8232 H 9.244349 5.444221 9.601867
8233 H 8.344993 6.199563 8.646612
8234 H 12.360545 14.037813 16.920292
8235 H 10.855435 13.897020 16.838346
8236 H 22.655444 16.143023 14.364904
8237 H 21.943368 16.167501 13.029149
8238 H -0.094209 13.245920 63.031498
8239 H 0.295790 14.093547 61.839305
8240 H 11.561005 8.522146 55.310754
8241 H 10.239138 9.037674 55.838762
[all …]
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| H A D | H2O-4096.inp | 4136 H 11.479692 24.735813 12.156585
4137 H 10.786844 24.621021 10.815436
4138 H 13.638718 10.549016 6.980489
4139 H 12.393336 11.240682 6.468126
4140 H 18.171302 8.777606 20.480456
4141 H 18.168498 10.158064 21.101925
4142 H 8.017314 18.707927 8.663439
4143 H 6.887424 18.521766 7.673193
4144 H 3.845881 14.604086 23.006929
4145 H 3.605530 16.071943 23.288927
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/benchmarks/QS/ |
| H A D | H2O-8192.inp | 8232 H 9.244349 5.444221 9.601867
8233 H 8.344993 6.199563 8.646612
8234 H 12.360545 14.037813 16.920292
8235 H 10.855435 13.897020 16.838346
8236 H 22.655444 16.143023 14.364904
8237 H 21.943368 16.167501 13.029149
8238 H -0.094209 13.245920 63.031498
8239 H 0.295790 14.093547 61.839305
8240 H 11.561005 8.522146 55.310754
8241 H 10.239138 9.037674 55.838762
[all …]
|
| /dports/science/tinker/tinker/test/ |
| H A D | dhfr.xyz | 6 5 H 5.046381 -10.758385 7.394131 235 1
7 6 H 4.240540 -11.413930 8.698101 235 1
8 7 H 4.657986 -9.796181 8.655101 235 1
9 8 H 2.784208 -11.210721 6.890334 12 2
14 13 H 2.283771 -9.459889 9.357309 179 9
15 14 H 1.788538 -11.125783 9.153508 179 9
16 15 H 0.353075 -10.342393 7.076773 181 10
17 16 H 0.377532 -8.687213 7.835275 181 10
18 17 H -1.093669 -9.853242 11.286767 184 12
19 18 H -0.753075 -8.343742 10.579905 184 12
[all …]
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| H A D | ice.xyz | 3 2 H 5.658476 5.839200 -10.253138 2 1
4 3 H 5.560748 5.769888 -8.666891 2 1
6 5 H 8.285899 6.416825 -19.794153 2 4
7 6 H 9.665932 6.188700 -19.176668 2 4
9 8 H 6.421343 -8.953249 -10.302355 2 7
10 9 H 6.410105 -8.050808 -8.949243 2 7
12 11 H 9.279803 -9.240015 -20.187268 2 10
13 12 H 8.503257 -8.237509 -19.309947 2 10
15 14 H 6.291576 -1.838224 -10.168169 2 13
16 15 H 6.595314 -0.705000 -9.132387 2 13
[all …]
|