| commit | b70481d1db00f439fad18914b2d0a681c595c040 | |
| author | Mark Abraham <mark.j.abraham@gmail.com> | |
| Thu, 29 Mar 2018 06:59:40 +0000 (29 08:59 +0200) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Tue, 21 Aug 2018 07:59:25 +0000 (21 09:59 +0200) | ||
| tree | a30e9c3a490efdeffbe5ad0ad593e11391387a09 | treesnapshot (tar.gz zip) |
| parent | 6c8a0c0e54d4b98024ecf0127b5a1ec6b005f66c | commitdiff |
Re-implemented mdrun -rerun tests
Used the new infrastructure to let the rerun test check that the
energies and trajectories (including forces) produced by a rerun
actually match those produced by a normal mdrun. Such a test running
in parallel would have prevented #1868, and will help checking that
any changed or new integrator functionality does the job that it
should do.
Updated some infrastructure to not care whether it gets passed
a C or C++ string.
Removed small pieces of infrastructure originally intended for use by
this patch but which are no longer required.
Refs #1868, #2112
Change-Id: Ifcb211aba62ccb79ebaec21a3088c9e60a618c86
Used the new infrastructure to let the rerun test check that the
energies and trajectories (including forces) produced by a rerun
actually match those produced by a normal mdrun. Such a test running
in parallel would have prevented #1868, and will help checking that
any changed or new integrator functionality does the job that it
should do.
Updated some infrastructure to not care whether it gets passed
a C or C++ string.
Removed small pieces of infrastructure originally intended for use by
this patch but which are no longer required.
Refs #1868, #2112
Change-Id: Ifcb211aba62ccb79ebaec21a3088c9e60a618c86