| commit | ae98f7777d84c356d522a2cbedfb32382c98e1b7 | |
| author | Mark Abraham <mark.j.abraham@gmail.com> | |
| Wed, 5 Jun 2019 16:34:15 +0000 (5 18:34 +0200) | ||
| committer | Paul Bauer <paul.bauer.q@gmail.com> | |
| Mon, 26 Aug 2019 13:44:24 +0000 (26 15:44 +0200) | ||
| tree | bb5bb98520cbf5af93d83c2785004afdfca7bc81 | treesnapshot (tar.gz zip) |
| parent | 52e3d670697a2481bed23af26c69ca182cec59eb | commitdiff |
Make FEP rerun tests cover the intended lambda space
These tests are meant to look at whether a rerun can recompute
quantites for a range of lambda values, but something went wrong at
some point so that only state 3 (bonded-lambda 0.5) has been being
tested.
TODO make a redmine that grompp should reject lines that aren't
recognized as either comments or valid input.
Change-Id: I1eb405aa55bfb77c07d9a7e9c48803380c96c1df
These tests are meant to look at whether a rerun can recompute
quantites for a range of lambda values, but something went wrong at
some point so that only state 3 (bonded-lambda 0.5) has been being
tested.
TODO make a redmine that grompp should reject lines that aren't
recognized as either comments or valid input.
Change-Id: I1eb405aa55bfb77c07d9a7e9c48803380c96c1df
| src/programs/mdrun/tests/rerun.cpp | diffblobblamehistory | |
| src/testutils/simulationdatabase.cpp | diffblobblamehistory |