Metropolis

From Zori Wiki

   <?xml version="1.0"?>
   <Walk>
   <Simulation>
   <WalkType Type="Variational Monte Carlo">
     <Algorithm Type="M(RT)2" >
        <RandomWalk>
          <Length Steps="200" Block="1" TimeStep="0.01" />
          <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>

This is an example of an extremely short VMC run. It can be used with the HNO molecule files also contained on this site.

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