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(parent: 5a7b86d) | patch
Fix PME forces with FE without perturbed q/LJ
authorBerk Hess <hess@kth.se>
Mon, 10 Sep 2018 19:53:15 +0000 (21:53 +0200)
committerBerk Hess <hess@kth.se>
Mon, 10 Sep 2018 19:55:39 +0000 (21:55 +0200)
commit12f01f7917dec5863bf76437fc470bc3b45484b2
treeaafa60ed21e172c428d4e6241607c92398c81d2btree | snapshot
parent5a7b86deabdd0cb2bcf3e5cdc5f575604783d471commit | diff
Fix PME forces with FE without perturbed q/LJ

PME would incorrectly scale the mesh forces with lambda when no
charges or LJ atom types were actually perturbed.

Fixes #2640

Change-Id: I193d55cf76d842f5b04d3a220411282c06b08a90
docs/release-notes/2018/2018.4.rst diff | blob | history
src/gromacs/ewald/pme.cpp diff | blob | history
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