| commit | 62e43da89cc33b842e51f6933a8f38e68feb1bec | |
| author | Berk Hess <hess@kth.se> | |
| Tue, 19 Dec 2017 10:55:25 +0000 (19 11:55 +0100) | ||
| committer | Berk Hess <hess@kth.se> | |
| Tue, 19 Dec 2017 10:55:25 +0000 (19 11:55 +0100) | ||
| tree | b9f72a619419c8f4c9c972d8db9a07bd4b8ff41c | treesnapshot (tar.gz zip) |
| parent | 72aa8a9957f42cd1d9db8b66c6182c2d8bee9aa8 | commitdiff |
Make acceleration correction VCM mode work
The new acceleration correction VCM mode did not actually correct
the coordinate for the acceleration, since a null pointer was passed.
Introduced an extra CGLO flag to allow for correction of the
coordinates, but leave the initial coordinates unaffected.
Change-Id: I673793902df7241085fff20c63cf3ce88ef60313
The new acceleration correction VCM mode did not actually correct
the coordinate for the acceleration, since a null pointer was passed.
Introduced an extra CGLO flag to allow for correction of the
coordinates, but leave the initial coordinates unaffected.
Change-Id: I673793902df7241085fff20c63cf3ce88ef60313
| src/gromacs/mdlib/md_support.cpp | diffblobblamehistory | |
| src/gromacs/mdlib/md_support.h | diffblobblamehistory | |
| src/programs/mdrun/md.cpp | diffblobblamehistory |