CategoryDevelopment, Library, Mathematics
DescriptionLibint 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|
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|