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(parent: 922e24d) | patch
Make bonded virial computation conditional
authorBerk Hess <hess@kth.se>
Wed, 14 Aug 2019 08:30:13 +0000 (10:30 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Tue, 20 Aug 2019 07:51:22 +0000 (09:51 +0200)
commit0ffe6ec5d891b3b5e7084666145b522c8c6fd440
tree6be5dcf19f35e16c89c2233771c6f96f5f9e495etree | snapshot
parent922e24d552ca18045638ae759f9e739450ac1276commit | diff
Make bonded virial computation conditional

Made the shift forces computation conditional of the bonded kernel
flavor for all kernels in bonded.cpp.
Introduced a forces spreading function for bonds to reduce code
duplication.

Change-Id: I7257d2223a28148f4b59583157b352d6d3918461
src/gromacs/listed_forces/bonded.cpp diff | blob | history
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