ForceAnnealing_with_BondGraph_continued_betteresults
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Last change
on this file since d9632e was 398fcd, checked in by Frederik Heber <heber@…>, 8 years ago |
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Converted validate subfolder into autotest suite.
- so long only for target check0.
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-
Property mode
set to
100644
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File size:
905 bytes
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| Rev | Line | |
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| [398fcd] | 1 | Hessian VT1
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| 2 | 3 atoms
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| 3 | 8 -0.121182879105 0.000000000000 0.000000000000
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| 4 | 1 0.961630112350 -0.000000000000 1.424853395389
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| 5 | 1 0.961630112350 -0.000000000000 -1.424853395389
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| 6 | 0.534644628186 -0.000000000000 0.000000000000 -0.000000000000 -0.000000000000
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| 7 | 0.787361706327 -0.267322314093 0.000000000000 -0.299176563478 0.247340315450
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| 8 | 0.000000000000 -0.000000000000 0.000000000000 -0.000000000000 0.000000000000
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| 9 | -0.226545468236 0.000000000000 -0.393680853163 0.262861015857 -0.000000000000
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| 10 | 0.426465843233 -0.267322314093 0.000000000000 0.299176563478 0.019981998643
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| 11 | 0.000000000000 -0.036315547621 0.247340315450 -0.000000000000 0.000000000000
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| 12 | 0.000000000000 -0.000000000000 -0.000000000000 0.000000000000 0.000000000000
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| 13 | 0.000000000000 0.226545468236 -0.000000000000 -0.393680853163 0.036315547621
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| 14 | 0.000000000000 -0.032784990069 -0.262861015857 -0.000000000000 0.426465843233
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| 15 | End Hessian
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