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
This commit is contained in:
Paul Kent 2016-12-21 18:55:29 +00:00
parent f5f4532b40
commit 37d8f34e16
2 changed files with 3 additions and 4 deletions

View File

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

Binary file not shown.