QSW_MPI v1.0.0

1.0.0 - 2020-07-01 Feature Release

This is a major revision of QSW_MPI. The focus of this release is the expansion of the simulation capabilities of QSW_MPI while focussing the scope of the package through the removal of features which are better supported through pre-existing alternatives (specifically file I/O and visualisation).

Added

• Generalised support for quantum stochastic walks, including the non-moralising quantum stochastic walk through the qsw_mpi.MPI.LQSW and qsw_mpi.MPI.GQSW classes.
• Experimental support for sparse systems following the Gorini–Kossakowski–Sudarshan–Lindblad equation in its diagonalised form through the qsw_mpi.MPI.GKSL class.
• Support for MPI-enabled parallel output to HDF5 using H5Py via the non-user accessible module qsw_mpi.parallel_io.
• Additional operator types including the canonical Markov chain transition matrix, and those required for the demoralisation correction scheme.

Changed

• All simulation types are now subclasses a generalised qsw_mpi.MPI.walk class. This breaks compatibility with version 0.0.1.
• qsw_mpi.MPI.walk.step and qsw_mpi.MPI.walk.series have been simplified, gathering of simulation results, or saving of the simulation results is now carried out through the qsw_mpi.MPI.walk.gather_result, qsw_mpi.MPI.walk.gather_populations, qsw_mpi.MPI.save_result or qsw_mpi.MPI.save_populations.

Removed

• Removed visualisation module qsw_mpi.plot. For basic visualisation, direct use of Matplotlib and Networkx is recommended.
• Removed dedicated I/O module qsw_mpi.io. For HDF5 file operations, direct use of H5Py is recommended.