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Libint

May 26, 2018

Evaluate the integrals in modern atomic and molecular theory

Libint is a library for evaluating ERI electron replusion integral over Cartesian Gaussian fuctions for modern atomic and molecular theory; esp. for science/mpqc and science/psi3.

WWW http//www.files.chem.vt.edu/chem-dept/valeev/software/libint/libint.html