mpqcval

Massively Parallel Quantum Chemistry Program (support tools)

Install

All systems
curl cmd.cat/mpqcval.sh
Debian Debian
apt-get install mpqc-support
Ubuntu
apt-get install mpqc-support
image/svg+xml Kali Linux
apt-get install mpqc-support
Windows (WSL2)
sudo apt-get update sudo apt-get install mpqc-support
Raspbian
apt-get install mpqc-support
Dockerfile
dockerfile.run/mpqcval

mpqc-support

Massively Parallel Quantum Chemistry Program (support tools)

MPQC is an ab-inito quantum chemistry program. It is especially designed to compute molecules in a highly parallelized fashion. This package includes Perl modules to parse the output, Emacs-modes to facilitate editing mpqc files and molrender, a program to output the molecules in OOGL-format.