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Last change
on this file since fe02bf was d29b31, checked in by Frederik Heber <heber@…>, 11 years ago |
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Longrange energy is now also calculated for level 1.
- level 1 sum is incorrect within a molecule but correct between molecules.
- TESTFIX: both analysing long range results required new
..LongRangeResults.dat as level 1 full_potential is missing for new
summation.
- TESTFIX: note that only change in O/PBC's .._LongRangeEnergy.dat is
additional line for level 1. All other values are exactly the same as must be
expected. (and .._Times.dat required replacement, too)
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-
Property mode
set to
100644
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File size:
361 bytes
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| Line | |
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| 1 | level times_total_walltime times_total_cputime times_gather_walltime times_gather_cputime
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| 2 | 1 1.33984971 1.084067 0.2816259861 0.276017
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| 3 | 2 8.656846762 8.252516 1.562124252 1.520096
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| 4 | 3 33.83141065 32.650042 4.851641178 4.704296
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| 5 | 4 76.69231081 74.796676 10.31856132 10.080632
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| 6 | 5 136.7805669 132.8043 16.84387517 16.597039
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| 7 | 6 185.5139627 180.607288 21.99450707 21.749362
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