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Wrap the PME testing loop in a method for extensibility
commit59517a95f22dd3db17400455a2ad8f156666f8c3
authorAleksei Iupinov <a.yupinov@gmail.com>
Fri, 12 Jan 2018 16:16:57 +0000 (12 17:16 +0100)
committerMark Abraham <mark.j.abraham@gmail.com>
Tue, 23 Jan 2018 14:52:50 +0000 (23 15:52 +0100)
tree9d1c74648a9ccf878bd1c0be8dd369cf08090228tree | snapshot (tar.gz zip)
parent67e533ddceb313ce10d398d041bf92b13fdd2c51commit | diff
Wrap the PME testing loop in a method for extensibility

Also clarify the XML reference data step tag.

Change-Id: I04eee98d92221f4e0e2fa23fa1180896858f1add
src/programs/mdrun/tests/pmetest.cpp diff | blob | blame | history
src/programs/mdrun/tests/refdata/PmeTest_ReproducesEnergies.xml diff | blob | blame | history
The ultimate molecular dynamics simulation package