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 |
|---|---|---|---|---|---|
✓ |
✓ |
✓ |
|||
✓ |
✓ |
✓ |