Running Diffusion Monte Carlo

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Diffusion Monte Carlo runs

Here is an input file:

<?xml version="1.0"?>
<Walk>
 <Simulation>
   <WalkType Type="Diffusion Monte Carlo">
     <Algorithm Type="UnrSubStepsSingle" >
        <RandomWalk>
          <Length Steps="300000000" Block="1" TimeStep="0.005" SubSteps="1"/>
          <Population WalkersPerProcessor="4000" 
            UnderFlow="0.25" OverFlow="2.5" HardOverFlow="5.0" Punch="True" 
            PunchType="Single" PunchInterval="10" MaxWeight="50.0"  Balance="True" BalanceInterval="1" Append="True" Accumulate="True">

<Control Type="CaffarelAssaraf" /> </Population>

           </RandomWalk>
           <EnergyCut TargetEnergy="-57.0" CutFactor="4.0" ForceCut="True" ForceCutFactor="1.0"/>
     </Algorithm>
   </WalkType>
 </Simulation>
 <Parameters>
   <Dimensions Dimensions="3" Particles="10"/>
   <Random Generator="mt19937" Seed="20043420234"/>
  </Parameters>
</Walk>

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