| commit | c7411433871452b75f08052a3f1ac3fed2dce13c | |
| author | Mark Abraham <mark.j.abraham@gmail.com> | |
| Tue, 29 Dec 2015 17:39:44 +0000 (29 18:39 +0100) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Mon, 16 Apr 2018 07:17:04 +0000 (16 09:17 +0200) | ||
| tree | 71c0dff9db0f00d741d479401581f5a2ab47bef4 | treesnapshot (tar.gz zip) |
| parent | c34108575170ef4b9960bd117dfefa260bc47c12 | commitdiff |
Updated mdrun comparison infrastructure
The functionality for running grompp to produce a .tpr file useful for
comparing two mdrun calculations works better as free functions than a
base class. This patch is essentially a rewrite of the interface,
though the core functionality is roughly the same.
Used raw string literals for nicer looking embedded strings.
Refs #1868
Change-Id: I4b5137b34c3da286e344809b71afd985d9c7bfab
The functionality for running grompp to produce a .tpr file useful for
comparing two mdrun calculations works better as free functions than a
base class. This patch is essentially a rewrite of the interface,
though the core functionality is roughly the same.
Used raw string literals for nicer looking embedded strings.
Refs #1868
Change-Id: I4b5137b34c3da286e344809b71afd985d9c7bfab
| src/programs/mdrun/tests/CMakeLists.txt | diffblobblamehistory | |
| src/programs/mdrun/tests/mdruncomparison.cpp | [moved from src/programs/mdrun/tests/mdruncomparisonfixture.cpp with 54% similarity] | diffblobblamehistory |
| src/programs/mdrun/tests/mdruncomparison.h | [new file with mode: 0644] | blob |
| src/programs/mdrun/tests/mdruncomparisonfixture.h | [deleted file] | blobblamehistory |