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Distributed memory continuous-time quantum walk Fortran library and Python. ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ Features include: * Fortran and Python bindings (in the form of a library and module respectively) * Supports MPI through the use of the PETSc and SLEPc high-performance sparse matrix libraries (CUDA support planned) * Has in-built support for infinite-line Hamiltonians * Import custom adjancency * Supports one, two and three continuous-time quantum walkers (with or without interactions) * Import and export matrices/states in binary or text format * Python module supports plotting and visualisation using matplotlib and networkx * Entanglement calculations * Ability to place diagonal defects/barriers on graph vertices * MPI graph isomorphism methods, for both 2 and 3 interacting particles

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https://github.com/josh146/pyctqw.git

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pyctqw

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pyctqw.readthedocs.io
pyctqw.rtfd.io

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