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(parent: 0c4acdc) | patch
Fix dHdl and foreign energy clearing at checkpointing
authorBerk Hess <hess@kth.se>
Mon, 9 Nov 2020 20:37:31 +0000 (21:37 +0100)
committerPaul Bauer <paul.bauer.q@gmail.com>
Tue, 10 Nov 2020 08:54:45 +0000 (08:54 +0000)
commitdd801b38ce79bcd58a70474a9d9bc97ba9c65d16
treeba69a3fdca52584abff70f16bf56866de550201btree | snapshot
parent0c4acdcd868fcd74d82cedd690a2049b2e53e4bccommit | diff
Fix dHdl and foreign energy clearing at checkpointing

The code copying dH/dl and foreign lambda energies to the checkpoint
data structures copied the wrong way around leading to zero values
being written to energy file for steps in between the last energy
frame and the checkpoint.

Fixes #3763
docs/release-notes/2020/2020.5.rst diff | blob | history
src/gromacs/mdlib/mdebin_bar.cpp diff | blob | history
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