https://quantumpackage.github.io/qp2/ Recent content on Quantum Package Hugo -- gohugo.io quantum.package@gmail.com quantum.package@gmail.com Wed, 23 Jan 2019 22:35:00 +0100 https://quantumpackage.github.io/qp2/page/try/ Wed, 23 Jan 2019 22:35:00 +0100 quantum.package@gmail.com https://quantumpackage.github.io/qp2/page/try/ 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. https://quantumpackage.github.io/qp2/page/tutorials/ Wed, 23 Jan 2019 22:33:52 +0100 quantum.package@gmail.com https://quantumpackage.github.io/qp2/page/tutorials/ Installation