PSI

PSI4 is an open-source suite of ab initio quantum chemistry programs designed for efficient, high-accuracy simulations of a variety of molecular properties. We can routinely perform computations with more than 2500 basis functions running serially or in parallel.

homepage: http://www.psicode.org/

version	versionsuffix	toolchain
4.0b6-20160201	-mt-Python-2.7.11	intel/2016a

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