Join GitHub today
GitHub is home to over 50 million developers working together to host and review code, manage projects, and build software together.Sign up
Failed to load latest commit information.
BAGEL, Brilliantly Advanced General Electronic-structure Library *** Website *** http://www.nubakery.org *** Authors *** Author contributions can be found in the manual. *** Citation *** Please cite as: "BAGEL, Brilliantly Advanced General Electronic-structure Library. http://www.nubakery.org under the GNU General Public License." A review can be found at: WIREs Comput. Mol. Sci 8, e1331 (2018). DOI: 10.1002/wcms.1331 *** License *** BAGEL is distributed under the GPLv3+. *** Support *** DOE Basic Energy Sciences (DE-FG02-13ER16398) NSF CAREER Program (CHE-1351598) NSF SI2-SSI (ACI-1550481) AFOSR Young Investigator Program (FA9550-15-1-0031) Alfred P. Sloan Foundation (FR-2015-65579) *** Disclaimer *** If you find problems that persist for an extended period of time, please open an issue or make a pull request with a patch. The BAGEL developers are trying their best, but are not commited to fix all the reported bugs in a timely manner due to time constraints. BAGEL is intended for use in parallel environments with a large amount of distributed memory (e.g., hence there is no disk interface). We are NOT going to optimize BAGEL for a stand-alone workstation. BAGEL is being tested primarily on Linux (CentOS and SUSE) and MacOS that we have access to. Since the program is standard compliant, it is expected that BAGEL also works on other platforms.