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