libint
Matrix elements (integrals) evaluation over Cartesian Gaussian functions
libint is two things: 1. a library of C/C++ functions for efficient evaluation of several kinds of two-body molecular integrals over Gaussian functions; 2. the optimizing compiler that generates a Libint library.
homepage ↗ github: evaleev/libint
Available in
| Overlay | Newest | Ebuilds | Last activity | |
|---|---|---|---|---|
| gentoo gitweb ↗ | 2.11.0 | 3 | 15 h | details › |
Versions & arches
Use flags of 2.11.0
- static-libs Build static versions of dynamic libraries as well
- doc Add extra documentation (API, Javadoc, etc). It is recommended to enable per package instead of globally