Introduction

Libint library is used to evaluate the traditional (electron repulsion) and certain novel two-body matrix elements (integrals) over Cartesian Gaussian functions used in modern atomic and molecular theory.

Libint is available using the command:

module load Libint

• More about Libint
• More about modules

Available versions:

• 1.1.6-intel-2016b (new from 15-05-2017)