-
Users' Website www.psicode.org
-
Downloading and Installing Psi4 https://github.com/psi4/psi4/wiki
-
Manual http://bit.ly/psi4manual (built nightly from master branch)
-
Forum http://forum.psicode.org
-
Communication & Support http://psicode.org/psi4manual/master/introduction.html#technical-support
-
Public Github https://github.com/psi4/psi4 (authoritative repository)
-
Private Github https://github.com/psi4/psi4private (scheduled to become read-only mirror of public GitHub master)
-
Travis CI build status
-
Anaconda https://anaconda.org/psi4 (binary available for Linux
) instructions
-
Interested Developers http://psicode.org/developers.php (welcome to fork psi4/psi4 or store private branches at psi4/psi4private)
-
Sample Inputs http://www.psicode.org/psi4manual/master/testsuite.html (also in share/psi4/samples)
-
Download Tarball https://github.com/psi4/psi4/releases
-
Build Dashboard https://testboard.org/cdash/index.php?project=Psi
-
YouTube Channel https://www.youtube.com/psitutorials
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 on multi-core machines.
With computationally demanding portions written in C++, Boost exports of many C++ classes into Python, and a flexible Python driver, Psi4 strives to be friendly to both users and developers.