HANDE

HANDE is an efficient, highly parallel code for stochastic quantum chemistry. It can be used both as a standalone program or (optionally) as a library from an existing quantum chemistry code. For a description of its main features see J. Chem. Theory Comput. 2019, 15, 3, 1728-1742.

Mailing List

There is a HANDE users mailing list where you can ask questions and get announcements of releases. See https://groups.google.com/g/hande-user where you can view any posts and sign up.

Documentation

Extensive documentation (including tutorials) can be found under the documentation subdirectory and on readthedocs.

HANDE development team

Alex Thom, University of Cambridge, [email protected].

Nick Blunt, University of Cambridge.

Fionn Malone, Lawrence Livermore National Laboratory.

Matthew Foulkes, Imperial College London.

Charlie Scott, University of Cambridge.

Verena Neufeld, University of Cambridge (now Columbia University).

James Shepherd, University of Iowa.

Roberto Di Remigio, University of Tromsø and Virginia Tech.

Maria-Andreea Filip, University of Cambridge.

Hayley Petras, University of Iowa.

Christopher Bradley, Imperial College London.

Tiger Zhang, University of Cambridge.

William Van Benschoten, University of Iowa.

Brian Zhao, University of Cambridge.

Some past HANDE developers

James Spencer (Former Lead Developer), Imperial College London.

Will Vigor, Imperial College London.

Ruth Franklin, University of Cambridge.

LICENCE

Except where otherwise stated, HANDE is under the 'Lesser GNU Public License v2.1'.

(Note that many bundled libraries, including dSFMT, aotus and pyblock are under a different licence. Please see the licence information in the relevant subdirectory for more details).

Note that this licence does not apply prior to HANDE 0.9.