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 | Manneback | Lemaitre4 |
|---|---|---|
| Libint/2.7.2-GCC-12.3.0-lmax-6-cp2k | √ |