| commit | a741d07b604e2952a0113203faccd310271dc233 | |
| author | Berk Hess <hess@kth.se> | |
| Wed, 13 Feb 2019 08:55:35 +0000 (13 09:55 +0100) | ||
| committer | Paul Bauer <paul.bauer.q@gmail.com> | |
| Fri, 15 Feb 2019 09:35:41 +0000 (15 10:35 +0100) | ||
| tree | 4e18557481bd7e0e6fa6491ed97b7113fe5ebf11 | treesnapshot (tar.gz zip) |
| parent | ed94ccdf6b99aab5dba6914cc4a33720a5deae37 | commitdiff |
Fix mass Delta H double counting
With separate mass lambda parameters, the perturbed mass contribution
to Delta H (not dH/dlambda) was double counted. This was due to an
incorrect fix for issue #2703 for missing Delta H contribution.
Refs #2703
Fixes #2849
Change-Id: I1349260e1e90a17a6b7dbe0d239d9474dcfa928c
With separate mass lambda parameters, the perturbed mass contribution
to Delta H (not dH/dlambda) was double counted. This was due to an
incorrect fix for issue #2703 for missing Delta H contribution.
Refs #2703
Fixes #2849
Change-Id: I1349260e1e90a17a6b7dbe0d239d9474dcfa928c
| docs/release-notes/2019/2019.1.rst | diffblobblamehistory | |
| src/gromacs/mdlib/force.cpp | diffblobblamehistory |