PyVibDMC is a general purpose package for running diffusion Monte Carlo jobs. It has a lot of flexibility and is very well documented here. You can either download it off GitHub or install it with pip
:
pip install pyvibdmc
It includes ways to use importance sampling, fixed-node dmc, adiabatic dmc, and more. It also has a suite of helper classes that you can use to easily parallelize potential energy evaluations, analyze wave functions obtained through DMC, and a plotter class to plot projections of the wave function onto coordinates of interest. If you have any questions, please ask.
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