1 | reset
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2 | set keycolumns 1
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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 |
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8 | set xlabel 'bond order k'
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9 | set ylabel 'Evaluation time [s]'
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10 | set terminal eps color
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11 | set output 'SimTime-Order.eps'
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12 | plot [1:4] \
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13 | 'SimTime-Order.dat' title 'mpqc' using 1:3 with linespoints, \
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14 | 'SimTime-Order.dat' title 'calc' using 1:4 with linespoints, \
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15 | 'SimTime-Order.dat' title 'compute gradient' using 1:5 with linespoints, \
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16 | 'SimTime-Order.dat' title 'nuc rep' using 1:6 with linespoints, \
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17 | 'SimTime-Order.dat' title 'one electron gradient' using 1:7 with linespoints, \
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18 | 'SimTime-Order.dat' title 'overlap gradient' using 1:8 with linespoints, \
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19 | 'SimTime-Order.dat' title 'two electron gradient' using 1:9 with linespoints, \
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20 | 'SimTime-Order.dat' title 'contribution' using 1:10 with linespoints, \
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21 | 'SimTime-Order.dat' title 'start thread' using 1:11 with linespoints, \
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22 | 'SimTime-Order.dat' title 'stop thread' using 1:12 with linespoints, \
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23 | 'SimTime-Order.dat' title 'setup' using 1:13 with linespoints, \
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24 | 'SimTime-Order.dat' title 'vector' using 1:14 with linespoints, \
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25 | 'SimTime-Order.dat' title 'density' using 1:15 with linespoints, \
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26 | 'SimTime-Order.dat' title 'evals' using 1:16 with linespoints, \
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27 | 'SimTime-Order.dat' title 'extrap' using 1:17 with linespoints, \
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28 | 'SimTime-Order.dat' title 'fock' using 1:18 with linespoints, \
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29 | 'SimTime-Order.dat' title 'accum' using 1:19 with linespoints, \
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30 | 'SimTime-Order.dat' title 'aogmat' using 1:20 with linespoints, \
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31 | 'SimTime-Order.dat' title 'start thread' using 1:21 with linespoints, \
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32 | 'SimTime-Order.dat' title 'stop thread' using 1:22 with linespoints, \
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33 | 'SimTime-Order.dat' title 'init pmax' using 1:23 with linespoints, \
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34 | 'SimTime-Order.dat' title 'local data' using 1:24 with linespoints, \
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35 | 'SimTime-Order.dat' title 'setup' using 1:25 with linespoints, \
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36 | 'SimTime-Order.dat' title 'sum' using 1:26 with linespoints
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