quantum-espresso

Commit Graph

Author	SHA1	Message	Date
giannozz	394e2b7869	tests updated git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5682 c92efa57-630b-4861-b058-cf58834340f0	2009-07-14 18:02:42 +00:00
giannozz	335c534904	tests updated, test for sawtooth potential added git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5284 c92efa57-630b-4861-b058-cf58834340f0	2008-11-21 16:23:55 +00:00
giannozz	9906c80231	Automated tests updated git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4492 c92efa57-630b-4861-b058-cf58834340f0	2007-12-03 16:29:30 +00:00
giannozz	233eb84541	Added tests for neb git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4218 c92efa57-630b-4861-b058-cf58834340f0	2007-09-06 09:59:46 +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	b9d1bbcda8	Added check on the number of scf iterations git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4139 c92efa57-630b-4861-b058-cf58834340f0	2007-08-14 10:18:06 +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

7 Commits