PSIMRCC

Francesco and Andy

PSIMRCC is an efficient, vectorized multireference coupled cluster code, written in C++. The code was originally written by Francesco Evangelista in the Schaefer group at the University of Georgia, and the latest version is a collaborative effort between Francesco and Andy Simmonett. Not to be confused with the sting-based code of Mihaly Kallay, our code is primarily designed to work with the PSI3 quantum chemistry package. Our emphasis is on efficient hand-coded implementations to permit the study of chemically interesting systems.

PSIMRCC will be available in the next release of Psi, version 3.4 (June 2008).