| commit | b9f6089d60be454b9eb0c952e77c26a47df302ce | |
| author | Mark Abraham <mark.j.abraham@gmail.com> | |
| Thu, 19 Jan 2017 20:58:23 +0000 (19 21:58 +0100) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Mon, 20 Feb 2017 12:39:46 +0000 (20 13:39 +0100) | ||
| tree | 2e11aa1b0ec40c335c70c9fe01e4bb73b1f01eea | treesnapshot (tar.gz zip) |
| parent | c70211cf2cb83682694c02c052d3b7a74833545a | commitdiff |
Add tests for old gmx energy functionality
Imported the edr and tpr files from the proposed new energyanalysis
tests so that we can observe that the old and new code are materially
the same, so we have a more stable change process for the large amount
of new code.
Extended gmx energy temporarily so that Einstein viscosity output
files are not hard coded (otherwise writing them in tests spams
output files).
Memory leak in inputrec.cpp was fixed (that only was detected
due to the dhdl test). A number of memory leaks in gmx_energy
were fixed as well.
Change-Id: I374b04bb20bb99df344b5b60a315b82c8c28828d
Imported the edr and tpr files from the proposed new energyanalysis
tests so that we can observe that the old and new code are materially
the same, so we have a more stable change process for the large amount
of new code.
Extended gmx energy temporarily so that Einstein viscosity output
files are not hard coded (otherwise writing them in tests spams
output files).
Memory leak in inputrec.cpp was fixed (that only was detected
due to the dhdl test). A number of memory leaks in gmx_energy
were fixed as well.
Change-Id: I374b04bb20bb99df344b5b60a315b82c8c28828d
15 files changed: