bessvlai / bagel Goto Github PK

BAGEL, Brilliantly Advanced General Electronic-structure Library

Open-source version of QSimulate-QM;
QSimulate is committed to maintaining the GPL version of BAGEL.

*** Website ***

  http://www.nubakery.org


*** 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+.


*** Disclaimer ***

  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.