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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:
304 bytes
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| Rev | Line | |
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| [878044] | 1 | reset
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| 2 | set keycolumns 1
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| 3 | set key outside
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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 |
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| 8 | set xlabel 'bond order k'
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| 9 | set ylabel 'absolute error in energy [Ht]'
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| 10 | set terminal eps color
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| 11 | set output 'DeltaEnergies-Order.eps'
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| 12 | plot [1:4] [1e-8:1e+1] \
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| 13 | 'DeltaEnergies-Order.dat' title '' using 1:(abs($4)) with linespoints
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