QP terminal

You can try Quantum Package in the terminal below. To configure the terminal for your favorite text editor, set the EDITOR environment variable: export EDITOR=vim Here is an example of a few commands you can run to get the Full-CI energy of the HCN molecule. First create a file named hcn.xyz containing the xyz coordinates. $ cat << EOF > hcn.xyz 3 HCN molecule C 0.0 0.0 0.0 H 0. [Read More]