VMC
From Zori Wiki
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WalkType Type="Variational Monte Carlo"
Algorithm
Type= M(RT)2 or Langevin or LangevinSingle
Length
Steps= number of steps to be moved
Block= number of steps in a block
TimeStep= time step size (how far one moves in a step)
Population
WalkersPerProcessor= number of walkers on a processor
Punch= print walkers to file (true/false)
PunchInterval= number of steps in an interval for printing walkers to file
Parameters
Dimensions= only '3' is implemented in Zori at this time
Particles= number of moving particles (almost always number of electrons)
Random
Generator= name of random number generator algorithm "see the GSL manual for more info" (http://www.gnu.org/software/gsl/manual/gsl-ref_17.html#SEC262)
Seed= integer seed for random number generator
More Examples of VMC input files can be found in the example files page. Return to zori manual
