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Expose DD distribution of free energy history
authorPascal Merz <pascal.merz@me.com>
Tue, 17 Nov 2020 01:13:37 +0000 (18:13 -0700)
committerPascal Merz <pascal.merz@me.com>
Fri, 21 May 2021 22:07:54 +0000 (16:07 -0600)
commit363a1c253b00d7928b2704ff1bdc9bdf66cc1c4b
tree1309f4d321076bf3f0efbc0bd13d6e844c2d56edtree | snapshot
parent44f6474f87d09449bf17512e98099ae26f5ac55dcommit | diff
Expose DD distribution of free energy history

To implement expanded ensemble, modular simulator needs to be able
to distribute the free energy history without initiating a full
t_state object. This exposes the required function to make it
available to the expanded ensemble modular simulator element.

Refs #3417, #3419
src/gromacs/domdec/distribute.cpp diff | blob | history
src/gromacs/domdec/distribute.h diff | blob | history
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