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

Availability

Module

Generic

E5

Lake

Epyc

Cascade

Libint/2.6.0-GCC-10.3.0-lmax-6-cp2k

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