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qmcpack/tests/molecules
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Mark Dewing 1f6514df15 Add the 'flux' estimator to the short tests. 
The estimator compares the integral of the square of the gradient with
the Laplacian.  It should be zero if the sampling is correct and
there are no discontinuities in the wavefunction.
It is defined in ConservedEnergy.h.


git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6839 e5b18d87-469d-4833-9cc0-8cdfa06e9491
 		2016-03-16 14:54:46 +00:00
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LiH_dimer_ae Add the 'flux' estimator to the short tests. 2016-03-16 14:54:46 +00:00
LiH_dimer_pp Add the 'flux' estimator to the short tests. 2016-03-16 14:54:46 +00:00