HANDE contains optimised, highly parallel implementations of the full configuration interaction quantum Monte Carlo (FCIQMC), coupled cluster Monte Carlo (CCMC) and Density Matrix Quantum Monte Carlo (DMQMC) algorithms for a variety of systems.

User instructions

HANDE is installed as a module and can be added to the environment using

$ module load hande/1.1.1

Further information is available at the HANDE website, and there is extensive documentation at http://hande.readthedocs.io.


Lesser GNU Public License v2.1.

Admin notes

This was compiled on a workstation using a bind mount.

$ module load intel mkl openmpi hdf5 lua trlan-mpi
$ ./tools/mkconfig.py config/cmth.mpi.pop64
$ make