General information about Libint-CP2K

Libint is a library for the evaluation of molecular integrals of many-body operators over Gaussian functions

For the CP2K open source molecular dynamics program, a CP2K-configured Libint library is available at


PDC takes no responsibility for the correctness of results produced with the binaries. Always evaluate the binaries against known results for the systems and properties you are investigating before using the binaries for production jobs.

Installed software

How to use
How to build