| commit | aa0fd0f3270fa27d7399b6185c4b56fc0f5b27a4 | |
| author | Berk Hess <hess@kth.se> | |
| Fri, 29 Jan 2016 16:30:28 +0000 (29 17:30 +0100) | ||
| committer | Berk Hess <hess@kth.se> | |
| Fri, 29 Jan 2016 16:30:28 +0000 (29 17:30 +0100) | ||
| tree | 964957b035dd4d5300926c53f353f8e5c25a4fe7 | treesnapshot (tar.gz zip) |
| parent | 42cc1cd88129d6401dd4c19cf447c468b9e427a9 | commitdiff |
Fix TPI ignoring PME mesh contributions.
The GMX_PME_CALC_POT flag was ignored in the PME code, effectively
zeroing the PME mesh contribution to test particle insertion energies.
Fixes #1895.
Change-Id: Ieda2b4496c374cc02b3ad22aa512d8b6eaa35189
The GMX_PME_CALC_POT flag was ignored in the PME code, effectively
zeroing the PME mesh contribution to test particle insertion energies.
Fixes #1895.
Change-Id: Ieda2b4496c374cc02b3ad22aa512d8b6eaa35189
| src/gromacs/ewald/pme.cpp | diffblobblamehistory |