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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:
534 bytes
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| 1 | reset
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| 2 | set keycolumns 1
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| 3 | set key bottom left
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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 xlabel 'bond order k'
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| 8 | set ylabel 'absolute error in total forces [Ht/a.u.]'
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| 9 | set terminal eps color
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| 10 | set output 'DeltaMinMeanMaxTotalForce-Order.eps'
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| 11 | plot [1:4] [1e-8:1e+0] \
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| 12 | 'DeltaMinForces-Order.dat' title 'minimum' using 1:(sqrt($8*$8+$9*$9+$10*$10)) with linespoints, \
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| 13 | 'DeltaMeanForces-Order.dat' title 'mean' using 1:(abs($8)) with linespoints, \
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| 14 | 'DeltaMaxForces-Order.dat' title 'maximum' using 1:(sqrt($8*$8+$9*$9+$10*$10)) with linespoints
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