Libint

Description

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.

More information

- Homepage: https://github.com/evaleev/libint

Available Versions of Libint

Version	Module	Available on
2.6.0-iimpi-2021a-lmax-6-cp2k	chem/Libint/2.6.0-iimpi-2021a-lmax-6-cp2k	Noctua 2
2.6.0-GCC-12.2.0-lmax-7-cp2k	chem/Libint/2.6.0-GCC-12.2.0-lmax-7-cp2k	Noctua 2
2.6.0-GCC-12.2.0-lmax-6-cp2k	chem/Libint/2.6.0-GCC-12.2.0-lmax-6-cp2k	Noctua 2
2.6.0-GCC-11.2.0-lmax-6-cp2k	chem/Libint/2.6.0-GCC-11.2.0-lmax-6-cp2k	Noctua 2
2.6.0-GCC-10.3.0-lmax-6-cp2k	chem/Libint/2.6.0-GCC-10.3.0-lmax-6-cp2k	Noctua 1, Noctua 2

This table is generated automatically. If you need other versions please click pc2-support@uni-paderborn.de.

Usage Hints for Libint

If you need support in using this software or example job scipts please contact pc2-support@uni-paderborn.de.