mirror of https://github.com/QMCPACK/qmcpack.git
Correct test descriptions to reflect new DMC and optimizer tests
git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@7372 e5b18d87-469d-4833-9cc0-8cdfa06e9491
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@ -710,16 +710,15 @@ We \textbf{strongly encourage} running the included tests each time
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QMCPACK is built. These compare the results from the executable with
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known-good mean-field, quantum chemical, and other QMC results.
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The tests included with QMCPACK currently test only the VMC code with
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The tests included with QMCPACK currently mainly test the VMC code with
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single determinant wavefunction and simple spline Jastrow
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wavefunctions, and for gaussian and periodic spline basis
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sets. Although not yet comprehensive, it is extremely unlikely that,
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e.g., DMC will be correct if the VMC tests do not pass. We check that the known mean
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sets. We check that the known mean
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field results are obtained with no Jastrow. When Jastrow functions are
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included we test against previous QMC data. The tests are statistical
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with a generous 3 $\sigma$ tolerance, however the system sizes are
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small, typically $<10$ electrons, so the error bars are typically
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small.
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small. Limited DMC and optimizer tests included and are scheduled for expansion.
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The ``short'' tests only take a few minutes on a 16
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core machine. You can run these tests using the command below in the
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