path: root/science/libint/pkg-descr

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