ForceAnnealing_with_BondGraph_continued
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Last change
on this file since 461a7f was 44441a, checked in by Frederik Heber <frederik.heber@…>, 8 years ago |
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TESTFIX: ForceAnnealing regression test used zero force.
- all atoms received the same force component which was then removed by the
force correction for the center of gravity of the molecule. Classical.
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-
Property mode
set to
100644
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File size:
146 bytes
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| Rev | Line | |
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| [1a48d2] | 1 | #atom x y z
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| [44441a] | 2 | 1 0.1 0. 0.
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| 3 | 2 0.1 0. 0.
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| 4 | 3 0.1 0. 0.
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| 5 | 4 0.1 0. 0.
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| 6 | 5 0.1 0. 0.
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| 7 | 6 0. 0.1 0.
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| 8 | 7 0. 0.1 0.
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| 9 | 8 0. 0.1 0.
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| 10 | 9 0. 0.1 0.
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| 11 | 10 0. 0.1 0.
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| 12 | 11 0. 0.1 0.
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