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://sourceforge.net/p/libint/
| version | versionsuffix | toolchain |
|---|---|---|
1.1.6 |
foss/2020b |
|
2.6.0 |
-lmax-6-cp2k |
GCC/10.2.0 |
2.6.0 |
-lmax-6-cp2k |
GCC/10.3.0 |
2.6.0 |
-lmax-6-cp2k |
iccifort/2020.4.304 |
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 |
(quick links: (all) - 0 - a - b - c - d - e - f - g - h - i - j - k - l - m - n - o - p - q - r - s - t - u - v - w - x - y - z)