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 |
|---|---|---|
1.1.4 |
intel/2016a |
|
1.1.6 |
GCC/8.2.0-2.31.1 |
|
1.1.6 |
foss/2016b |
|
1.1.6 |
foss/2018a |
|
1.1.6 |
foss/2020a |
|
1.1.6 |
foss/2020b |
|
1.1.6 |
iccifort/2019.1.144-GCC-8.2.0-2.31.1 |
|
1.1.6 |
intel/2016b |
|
1.1.6 |
intel/2017b |
|
1.1.6 |
intel/2018a |
|
1.1.6 |
intel/2018b |
|
1.1.6 |
intel/2020a |
|
2.0.3 |
foss/2018b |
|
2.0.3 |
gompi/2019a |
|
2.0.3 |
intel/2018b |
|
2.1.0 |
intel/2016b |
|
2.4.2 |
intel/2018a |
|
2.5.0 |
gompi/2019a |
|
2.5.0 |
iimpi/2019a |
|
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 |
gompi/2020a |
2.6.0 |
-lmax-6-cp2k |
iccifort/2020.4.304 |
2.6.0 |
-lmax-6-cp2k |
iimpi/2020a |
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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