- Timestamp:
- Apr 10, 2018, 6:43:31 AM (7 years ago)
- Branches:
- AutomationFragmentation_failures, Candidate_v1.6.1, ChemicalSpaceEvaluator, Exclude_Hydrogens_annealWithBondGraph, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_contraction-expansion, Gui_displays_atomic_force_velocity, PythonUI_with_named_parameters, StoppableMakroAction, TremoloParser_IncreasedPrecision
- Children:
- 0c4f24
- Parents:
- 90050b
- git-author:
- Frederik Heber <frederik.heber@…> (08/02/17 20:28:27)
- git-committer:
- Frederik Heber <frederik.heber@…> (04/10/18 06:43:31)
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
tests/Python/ForceAnnealing/post/two_carbon_test_bondgraph.data
r90050b r441d40 7 7 C 2 8.72646 10 10 0 0 0 0.264589 0 0 1 0 0 0 8 8 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 9 C 1 7. 5470810 10 0 0 0 -0.236585 0 0 2 0 0 010 C 2 8. 7529210 10 0 0 0 0.236585 0 0 1 0 0 09 C 1 7.35001 10 10 0 0 0 -0.236585 0 0 2 0 0 0 10 C 2 8.94999 10 10 0 0 0 0.236585 0 0 1 0 0 0 11 11 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 12 C 1 7.44855 10 10 0 0 0 -0.208581 0 0 2 0 0 0 13 C 2 8.85145 10 10 0 0 0 0.208581 0 0 1 0 0 0 14 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 15 C 1 7.37085 10 10 0 0 0 -0.104301 0 0 2 0 0 0 16 C 2 8.92915 10 10 0 0 0 0.104301 0 0 1 0 0 0 17 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 18 C 1 7.36166 10 10 0 0 0 -0.0220667 0 0 2 0 0 0 19 C 2 8.93834 10 10 0 0 0 0.0220667 0 0 1 0 0 0 20 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 21 C 1 7.36043 10 10 0 0 0 -0.0123404 0 0 2 0 0 0 22 C 2 8.93957 10 10 0 0 0 0.0123404 0 0 1 0 0 0 23 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 24 C 1 7.35919 10 10 0 0 0 -0.0110386 0 0 2 0 0 0 25 C 2 8.94081 10 10 0 0 0 0.0110386 0 0 1 0 0 0 26 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 27 C 1 7.3546 10 10 0 0 0 -0.00972628 0 0 2 0 0 0 28 C 2 8.9454 10 10 0 0 0 0.00972628 0 0 1 0 0 0 29 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 30 C 1 7.35098 10 10 0 0 0 -0.00486843 0 0 2 0 0 0 31 C 2 8.94902 10 10 0 0 0 0.00486843 0 0 1 0 0 0 32 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 33 C 1 7.35054 10 10 0 0 0 -0.00103719 0 0 2 0 0 0 34 C 2 8.94946 10 10 0 0 0 0.00103719 0 0 1 0 0 0 35 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 36 C 1 7.35049 10 10 0 0 0 -0.000571511 0 0 2 0 0 0 37 C 2 8.94951 10 10 0 0 0 0.000571511 0 0 1 0 0 0 38 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 39 C 1 7.35043 10 10 0 0 0 -0.000518594 0 0 2 0 0 0 40 C 2 8.94957 10 10 0 0 0 0.000518594 0 0 1 0 0 0 41 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 42 C 1 7.3502 10 10 0 0 0 -0.000455092 0 0 2 0 0 0 43 C 2 8.9498 10 10 0 0 0 0.000455092 0 0 1 0 0 0 44 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 45 C 1 7.35005 10 10 0 0 0 -0.000211671 0 0 2 0 0 0 46 C 2 8.94995 10 10 0 0 0 0.000211671 0 0 1 0 0 0 47 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 48 C 1 7.35003 10 10 0 0 0 -5.29177e-05 0 0 2 0 0 0 49 C 2 8.94997 10 10 0 0 0 5.29177e-05 0 0 1 0 0 0 50 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 51 C 1 7.35002 10 10 0 0 0 -3.17506e-05 0 0 2 0 0 0 52 C 2 8.94998 10 10 0 0 0 3.17506e-05 0 0 1 0 0 0 53 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 54 C 1 7.35002 10 10 0 0 0 -2.11671e-05 0 0 2 0 0 0 55 C 2 8.94998 10 10 0 0 0 2.11671e-05 0 0 1 0 0 0 56 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 57 C 1 7.35002 10 10 0 0 0 -2.11671e-05 0 0 2 0 0 0 58 C 2 8.94998 10 10 0 0 0 2.11671e-05 0 0 1 0 0 0 59 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 60 C 1 7.35002 10 10 0 0 0 -2.11671e-05 0 0 2 0 0 0 61 C 2 8.94998 10 10 0 0 0 2.11671e-05 0 0 1 0 0 0 62 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 63 C 1 7.35002 10 10 0 0 0 -2.11671e-05 0 0 2 0 0 0 64 C 2 8.94998 10 10 0 0 0 2.11671e-05 0 0 1 0 0 0 12 C 1 7.35 10 10 0 0 0 -1.05835e-05 0 0 2 0 0 0 13 C 2 8.95 10 10 0 0 0 1.05835e-05 0 0 1 0 0 0
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