Basis-Set

Visualization of Basis Set

通过在$HOME/.local/bin中添加新的命令来可视化轨道的形状：

#!/bin/sh
#
string="$@"

ioncat $@  > .tmp_ioncat

cat > .plot.g << EOF
set title "$string"
plot ".tmp_ioncat" using 1:2 w l title "f"
replot ".tmp_ioncat" using 1:3 w l title "grad f"
EOF
#
gnuplot -persist .plot.g