Libint

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Category

Development, Library, Mathematics

Description

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

Legacy versions Supported versions New versions
1.1.5

Environment modules

Version Module load command Additional modules loaded automatically
1.1.5 module load gcc/4.8.2 libint/1.1.5

License information

GPLv2

Links

https://sourceforge.net/projects/libint