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(parent: 3820adc) | patch
Account for reference density origin shift in pbc correction
authorChristian Blau <cblau@gwdg.de>
Mon, 9 Sep 2019 13:41:48 +0000 (15:41 +0200)
committerChristian Blau <cblau@gwdg.de>
Tue, 10 Sep 2019 12:07:39 +0000 (14:07 +0200)
commitaa666e87b7fbeb4b12f06d5b62ed50d072214a31
tree055ff240cde970b7be8030309af51357d4598586tree | snapshot
parent3820adc1501c77026250276eb3d770d189d50fdecommit | diff
Account for reference density origin shift in pbc correction

When the refernce density is shifted from the origin, this shift has to
be added to the reference density center. This patch fixes incorrect pbc
correction behaviour, due to not taking this shift into account.

refs #2282

Change-Id: I953f717ecf6ab53985a59195eab896d50965039e
src/gromacs/applied_forces/densityfittingforceprovider.cpp diff | blob | history
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