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Last change
on this file since 88bb6b was f5724f, checked in by Frederik Heber <heber@…>, 12 years ago |
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Moved all FragmentationActions related to potentials into own menu and folder.
- changed class names Fragmentation... -> Potential...
- changed tokens in GlobalListOfActions.
- added menu entry "potential" and CommandLineParser program_options variable.
- moved regression tests into own folder as well and renamed folder in files.
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Property mode
set to
100644
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File size:
561 bytes
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| 1 | REMARK created by molecuilder on Thu Jul 25 17:13:03 2013, time step 0
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| 2 | ATOM 1 O01 0non 01 4.000 4.000 3.628 0.00 0.00 O 0
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| 3 | ATOM 2 H01 0non 01 4.720 4.000 4.186 0.00 0.00 H 0
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| 4 | ATOM 3 H02 0non 01 3.280 4.000 4.186 0.00 0.00 H 0
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| 5 | CONECT 1 3 2
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| 6 | CONECT 2 1
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| 7 | CONECT 3 1
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| 8 | END
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