Skip to content
forked from psi4/psi4

Ab Initio Quantum Chemistry – an open-source electronic structure package in C++ driven by Python

License

Unknown, GPL-2.0 licenses found

Licenses found

Unknown
LICENSE
GPL-2.0
COPYING
Notifications You must be signed in to change notification settings

wpoely86/psi4release

This branch is 9571 commits ahead of, 16105 commits behind psi4/psi4:master.

Folders and files

NameName
Last commit message
Last commit date

Latest commit

6a9a71b · Jul 4, 2016
Feb 13, 2016
Oct 7, 2015
Nov 24, 2014
Jul 4, 2016
Jul 4, 2016
Jun 28, 2016
Jan 19, 2016
Mar 6, 2015
Jun 30, 2016
Jul 4, 2016
Jul 3, 2016
Jul 3, 2016
Jul 4, 2016
Jun 8, 2016
Jul 1, 2016
Jul 1, 2016
Feb 22, 2016
May 2, 2013
Mar 23, 2015
Nov 16, 2014
Jun 5, 2016
Feb 22, 2016
Feb 17, 2016
Jul 3, 2013
May 16, 2016
Jun 18, 2016
Mar 7, 2015

Repository files navigation

Psi4: Open-Source Quantum Chemistry

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.

About

Ab Initio Quantum Chemistry – an open-source electronic structure package in C++ driven by Python

Resources

License

Unknown, GPL-2.0 licenses found

Licenses found

Unknown
LICENSE
GPL-2.0
COPYING

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages

  • C++ 65.3%
  • Python 22.6%
  • Fortran 6.2%
  • C 3.6%
  • CMake 1.0%
  • SourcePawn 0.7%
  • Other 0.6%