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OpenDAS
torchani
Commits
74a81f21
Unverified
Commit
74a81f21
authored
Jan 11, 2019
by
Gao, Xiang
Committed by
GitHub
Jan 11, 2019
Browse files
Add xyz files to be used in future tests (#164)
parent
06a6f381
Changes
1000
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tools/generate-unit-test-expect/IRC/IRC04/IRC04-50.xyz
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tools/generate-unit-test-expect/IRC/IRC04/IRC04-50.xyz
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tools/generate-unit-test-expect/IRC/IRC04/IRC04-51.xyz
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comment:c
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tools/generate-unit-test-expect/IRC/IRC04/IRC04-52.xyz
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comment:c
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tools/generate-unit-test-expect/IRC/IRC04/IRC04-53.xyz
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comment:c
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tools/generate-unit-test-expect/IRC/IRC04/IRC04-54.xyz
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comment:c
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tools/generate-unit-test-expect/IRC/IRC04/IRC04-55.xyz
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comment:c
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tools/generate-unit-test-expect/IRC/IRC04/IRC04-56.xyz
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comment:c
C 0.6272690 1.0565970 0.5096710
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C -2.1721520 -1.1556350 -0.4193940
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tools/generate-unit-test-expect/IRC/IRC04/IRC04-57.xyz
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comment:c
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tools/generate-unit-test-expect/IRC/IRC04/IRC04-58.xyz
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comment:c
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tools/generate-unit-test-expect/IRC/IRC04/IRC04-59.xyz
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comment:c
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tools/generate-unit-test-expect/IRC/IRC04/IRC04-60.xyz
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comment:c
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comment:c
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tools/generate-unit-test-expect/IRC/IRC04/IRC04-62.xyz
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comment:c
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comment:c
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comment:c
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comment:c
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comment:c
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H 0.1677390 -1.6992780 1.2020470
H 0.1624720 0.5608790 1.3290460
H 1.8504270 0.8417890 -1.2195330
N 0.5692620 2.4301460 0.5202720
H 0.8106270 2.8974869 -0.3433640
H -0.2738690 2.8010039 0.9331160
tools/generate-unit-test-expect/IRC/IRC04/IRC04-67.xyz
0 → 100644
View file @
74a81f21
18
comment:c
C 0.6669840 1.0442580 0.4935140
C -2.4836221 0.1805950 -0.3318600
C -2.3043981 -1.1331460 -0.4112200
C 0.8964160 -2.0098951 0.4439760
C 1.5064390 -1.1382170 -0.3664120
C 1.3525680 0.3197440 -0.4053310
H -3.2654009 0.6165920 0.2868730
H -2.9299929 -1.8288370 0.1440430
H 1.1069990 -3.0733700 0.3795240
H 2.2075551 -1.5384250 -1.0993180
H -1.5174830 -1.5643450 -1.0240970
H -1.8562560 0.8712490 -0.8902460
H 0.1715590 -1.7037550 1.1953360
H 0.1712410 0.5574010 1.3309290
H 1.8524630 0.8409900 -1.2218890
N 0.5674380 2.4267919 0.5173620
H 0.8046740 2.8937910 -0.3475920
H -0.2759130 2.7948830 0.9322200
tools/generate-unit-test-expect/IRC/IRC04/IRC04-68.xyz
0 → 100644
View file @
74a81f21
18
comment:c
C 0.6715610 1.0411460 0.4935180
C -2.5053949 0.1857810 -0.3315940
C -2.3096840 -1.1257380 -0.4088550
C 0.9071020 -2.0125630 0.4435560
C 1.5187320 -1.1392390 -0.3638200
C 1.3566900 0.3178450 -0.4066270
H -3.3175380 0.6113990 0.2543690
H -2.9517860 -1.8299860 0.1160280
H 1.1251580 -3.0748279 0.3843540
H 2.2280130 -1.5368750 -1.0902350
H -1.4926320 -1.5464040 -0.9889980
H -1.8617060 0.8851360 -0.8599870
H 0.1732830 -1.7087790 1.1872190
H 0.1830720 0.5540390 1.3350660
H 1.8507479 0.8394140 -1.2265050
N 0.5646400 2.4231429 0.5139680
H 0.7946680 2.8892391 -0.3534020
H -0.2778740 2.7881551 0.9332110
tools/generate-unit-test-expect/IRC/IRC04/IRC04-69.xyz
0 → 100644
View file @
74a81f21
18
comment:c
C 0.6762430 1.0380090 0.4941470
C -2.5248289 0.1913480 -0.3314520
C -2.3133171 -1.1178260 -0.4067770
C 0.9169380 -2.0154281 0.4433210
C 1.5302620 -1.1404181 -0.3609180
C 1.3591650 0.3155880 -0.4083640
H -3.3678639 0.6062780 0.2171760
H -2.9735320 -1.8309590 0.0823910
H 1.1433210 -3.0762739 0.3902830
H 2.2484291 -1.5352930 -1.0800800
H -1.4656600 -1.5275000 -0.9498480
H -1.8631630 0.8996760 -0.8246330
H 0.1732220 -1.7142770 1.1782510
H 0.1973560 0.5510890 1.3413500
H 1.8453360 0.8370830 -1.2329750
N 0.5610080 2.4193580 0.5102610
H 0.7809930 2.8839281 -0.3605080
H -0.2794920 2.7812240 0.9362010
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