Commit Graph

3 Commits

Author SHA1 Message Date
giannozz ebd7f11623 More of the same
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5097 c92efa57-630b-4861-b058-cf58834340f0
2008-08-01 06:49:09 +00:00
giannozz 1eb2593ce8 added tests for variable-cell relaxation; tighter convergence threshold
for some tests to get less shaky results (especially for stress)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4193 c92efa57-630b-4861-b058-cf58834340f0
2007-08-31 09:54:41 +00:00
giannozz f96459296d New automatic tests, still under development. Unlike the current automatic
test (which I can't stand any longer), this procedure is meant to be fast,
to cover as many cases as possible, and to yield "passed" or "not passed"
as a result. The tests are not meant to be physically meaningful.
See README and check.j : it should be easy to follow the logic (if any)

Presently there are tests for pw.x only, for a few types of calculations:
'scf', 'relax', 'md'. Adding new tests for single pw.x runs is easy.
Extension to calculations requiring more steps, and to other codes,
requires some additional though.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4098 c92efa57-630b-4861-b058-cf58834340f0
2007-08-03 15:47:44 +00:00