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.

https://github.com/evaleev/libint

Available modules

The overview below shows which Libint installations are available per target architecture in the HPCC module system, ordered based on software version (new to old).

To start using Libint, load one of these modules using a module load command like:

module load Libint/2.7.2-GCC-12.3.0-lmax-6-cp2k

(This data was automatically generated on Thu, 22 Jan 2026 at 12:03:27 EST)

	gateway	generic	zen2	zen3	zen4	skylake_avx512
	Gateway nodes	everywhere (except Grace nodes)	amd20	amd22	amd24	intel18,amd20-v100,amd21,intel21
Libint/2.7.2-GCC-12.3.0-lmax-6-cp2k	-	x	-	-	-	-