Libint
From ScientificComputing
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Development, Library, MathematicsDescription
Libint version 1 ("Libint1") is the old(er) code that supports four-center electron-repulsion (Coulomb) integrals and their first and second geometrical derivatives, as well as four-center integrals that appear in the "old" R12 methods using linear correlation factor. MPQC and CP2K have interfaces to this version of Libint, and Psi has Libint1 embedded. Version 1 is no longer actively developed. Maintenance releases may still appear as necessary.Available versions (Euler, old software stack)
Legacy versions | Supported versions | New versions |
---|---|---|
1.1.5 |
Environment modules (Euler, old software stack)
Version | Module load command | Additional modules loaded automatically |
---|---|---|
1.1.5 | module load gcc/4.8.2 libint/1.1.5 |