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Last change
on this file since 88bb6b was 878044, checked in by Frederik Heber <heber@…>, 15 years ago |
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Added (simple) regression tests for joiner and analyzer for heptan.
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-
Property mode
set to
100644
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File size:
378 bytes
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| 1 | reset
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| 2 | set keycolumns 5
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| 3 | set key below
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| 4 | set mxtics 1
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| 5 | set xtics 1
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| 6 | set logscale y
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| 7 | set boxwidth 0.2
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| 8 | set xlabel 'bond order'
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| 9 | set ylabel 'maximum of approximated forces [Ht/a.u.]'
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| 10 | set terminal eps color
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| 11 | set output 'MaxForces-FragmentOrder.eps'
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| 12 | plot [1:4] [1e-13:137.933] \
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| 13 | 'MaxForces-FragmentOrder.dat' title 'Pos1' using ($1+0.0):(sqrt($8*$8+$9*$9+$10*$10)) with boxes fillcolor black
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