Libint/Description

From ScientificComputing
Revision as of 07:32, 5 January 2017 by Sfux (talk | contribs) (Created page with "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 a...")

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

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.