Libint-cp2k
Installed versions
Resource | Version |
---|---|
Dardel/cpe24.11 | 2.6.0 |
General information
Libint is a library for the evaluation of molecular integrals of many-body operators over Gaussian functions https://github.com/evaleev/libint For the CP2K open source molecular dynamics program, a CP2K-configured Libint library is available at https://github.com/cp2k/libint-cp2k
How to use
Libint-CP2K is available on Dardel, you can check available modules using
$ module spider libint-cp2k