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(parent: 2cfb8a1) | patch
Fix missing PBC in SHAKE
authorBerk Hess <hess@kth.se>
Wed, 3 Jun 2020 12:59:02 +0000 (14:59 +0200)
committerArtem Zhmurov <zhmurov@gmail.com>
Wed, 3 Jun 2020 20:32:59 +0000 (20:32 +0000)
commit068190543bb283f2e88111e8c2f7a2932d9baa17
tree1053aad78e3be14ae21ab938ef80de54a013b4eetree | snapshot
parent2cfb8a161918c9bb1f1e8cdc189b1e5a6e31e6efcommit | diff
Fix missing PBC in SHAKE

During introduction of PBC support in SHAKE, one distance calculation
was overlooked.
Also replaced doubles by reals and made variables scope local.
src/gromacs/mdlib/shake.cpp diff | blob | history
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