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(parent: 73aa17a) | patch
Decouple nsttcouple and nstpcouple from nstlist
authorBerk Hess <hess@kth.se>
Sun, 13 Sep 2020 09:30:20 +0000 (09:30 +0000)
committerPaul Bauer <paul.bauer.q@gmail.com>
Sun, 13 Sep 2020 09:30:20 +0000 (09:30 +0000)
commitb7195d75e34c3bd9ec9bef66845a81192da483e5
tree2d1c5486a15e70df090eead22abcc9b51ac9939ctree | snapshot
parent73aa17a32327ae26133eaed227f974148c9a8d52commit | diff
Decouple nsttcouple and nstpcouple from nstlist

The default values of nsttcouple and nstpcouple of -1 would cause
nstlist to be used as the coupling interval. But coupling intervals
should not be linked to nstlist. The default is now set to 10, which
will not change settings for mdp files where nstlist was not specified
as the default nstlist value is also 10.
docs/release-notes/2021/major/miscellaneous.rst diff | blob | history
docs/user-guide/mdp-options.rst diff | blob | history
src/gromacs/mdtypes/inputrec.cpp diff | blob | history
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