PSI3 is a suite of programs for computing various properties of small- to medium-sized molecules using high-accuracy, ab initio, quantum mechanical models.
Project Admins:
evaleev, psicode
Operating System:
All BSD Platforms (FreeBSD/NetBSD/OpenBSD/Apple Mac OS X), All POSIX (Linux/BSD/UNIX-like OSes), Linux, OS X, IBM AIX, SGI IRIX
License:
GNU General Public License (GPL)
Category:
Chemistry, Molecular Science, Physics
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