Libint¶
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.
homepage: https://github.com/evaleev/libint
| version | versionsuffix | toolchain |
|---|---|---|
2.6.0 |
-lmax-6-cp2k |
GCC/10.3.0 |
2.6.0 |
-lmax-6-cp2k |
iimpi/2021a |
2.7.2 |
-lmax-6-cp2k |
GCC/11.3.0 |
2.7.2 |
-lmax-6-cp2k |
GCC/12.2.0 |
2.7.2 |
-lmax-6-cp2k |
GCC/12.3.0 |
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