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Change grompp disres cost to linear
authorBerk Hess <hess@kth.se>
Tue, 23 Jun 2020 19:53:11 +0000 (21:53 +0200)
committerPaul Bauer <paul.bauer.q@gmail.com>
Wed, 24 Jun 2020 11:35:06 +0000 (11:35 +0000)
commit5c4a4519fb8694d1651b1dbb9b9ffe58420498b5
tree26c981739bdba17fee358b42dab1d0bcf9546d00tree | snapshot
parentd342b8e526cb7ef78f59461a5c2f49b94fbecd3acommit | diff
Change grompp disres cost to linear

The cost of adding distance restraints (actually their parameters)
was quadratic in the number of restraints and has now been changed
to linear.

Fixes #3457
docs/release-notes/2021/major/performance.rst diff | blob | history
src/gromacs/gmxpreprocess/convparm.cpp diff | blob | history
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