biod.pnpi.spb.ru / alexxy / gromacs.git / commit
? search:
summary | shortlog | log | commit | commitdiff | tree
(parent: 3c42e42) | patch
Use legacy code path for t_graph (modular simulator)
authorPascal Merz <pascal.merz@me.com>
Fri, 21 Feb 2020 01:11:13 +0000 (18:11 -0700)
committerPaul Bauer <paul.bauer.q@gmail.com>
Thu, 27 Feb 2020 11:55:01 +0000 (12:55 +0100)
commitdad5f85782dff0bda225cbcf8a5e9266efd33d8e
tree8290457726a4f12ee261111e93aa1ba0af3bf486tree | snapshot
parent3c42e42fb0da0075c1df26a36d2705da03b2b1a3commit | diff
Use legacy code path for t_graph (modular simulator)

This change redirects simulations which will require a t_graph object
to the legacy code path. It also adds an assert to catch cases in which
the redirection would fail in a more graceful way.

Fixes #3389

Change-Id: I17a70e504c206b2798cd2439c0c0ff5d5cd112e3
docs/release-notes/2020/2020.1.rst diff | blob | history
src/gromacs/modularsimulator/modularsimulator.cpp diff | blob | history
src/gromacs/modularsimulator/topologyholder.cpp diff | blob | history
Local GROMACS mirror with custom stuff