34 lines
401 B
Bash
34 lines
401 B
Bash
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#!/bin/bash
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molecules=( HF F2 ethylene N2 H4 H8 )
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for mol in "${molecules[@]}"
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do
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cd ${mol}_cc-pvdz
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gnuplot plot_pes.gnu
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epspdf plot_pes.eps
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gnuplot plot_error.gnu
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epspdf plot_error.eps
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gnuplot plot_stat.gnu
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epspdf plot_stat.eps
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gnuplot plot_distance.gnu
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epspdf plot_distance.eps
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gnuplot freq.gnu
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epspdf freq.eps
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gnuplot xe.gnu
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epspdf xe.eps
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gnuplot force.gnu
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epspdf force.eps
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cd ..
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done
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