Attention

Advance Notice: Bessemer will be retired at the end of the day on Friday 31st October 2025.

Libint

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.

Note

This is an autogenerated page, more detail including examples may be available for this package. Please see the first section of Software on Stanage

After connecting to Stanage (see Establishing a SSH connection), start an interactive session with the following command:

srun --pty bash -i

A version of Libint can then be made available with one of the following:

module load Libint/2.6.0-GCC-10.2.0-lmax-6-cp2k

Notes

Libint was installed using Easybuild, build details can be found in $EBROOTLIBINT/easybuild with a given module loaded.

Direct dependencies for latest version of Libint