Psi4
Psi4 is a suite of ab initio quantum chemistry programs designed for efficient, high-accuracy simulations of a variety of molecular properties.
Documentation
Usage
To see what versions of Psi4 are available type
module avail psi4
To see what other modules are needed, what commands are available and how to get additional help type
module help psi4
To use Psi4, include a command like this in your batch script or interactive session to load the psi4 module:
module load psi4
Be sure you also load any other modules needed, as listed by the module help psi4 command.
