Langevin
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<?xml version="1.0"?>
<Walk>
<Simulation>
<WalkType Type="Variational Monte Carlo">
<Algorithm Type="Langevin" >
<RandomWalk>
<Length Steps="200" Block="1" TimeStep="0.00001" />
<Population WalkersPerProcessor="100" Punch="True"
PunchType="Single" PunchInterval="10" />
</RandomWalk>
</Algorithm>
</WalkType>
</Simulation>
<Parameters>
<Dimensions Dimensions="3" Particles="16" />
<Random Generator="mt19937" Seed="2005" />
</Parameters>
</Walk>
Another VMC input file that can be used for the HNO example. Notice the very small time step. For HNO an ideal time step is probably around 0.0001 - 0.001.
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