HANDE

Description

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.

Source

https://github.com/hande-qmc/hande

License

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