| 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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