Fix modular simulator log writing in fresh simulation starts with nstlog == 0
authorPascal Merz <pascal.merz@me.com>
Tue, 19 Jan 2021 09:39:34 +0000 (09:39 +0000)
committerPaul Bauer <paul.bauer.q@gmail.com>
Tue, 19 Jan 2021 09:39:34 +0000 (09:39 +0000)
commit7d59f6b9ac5568eccef1c9590a285635fdba076f
tree928a35b296954d7a39ed5213557919a1657ac557
parent182d3959c8dd4cc951df963501776d25efef7aca
Fix modular simulator log writing in fresh simulation starts with nstlog == 0

With nstlog = 0, legacy simulator writes log on the initial step, while
modular simulator wasn't. This adapts modular simulator to the legacy
approach.
src/gromacs/modularsimulator/signallers.cpp
src/gromacs/modularsimulator/signallers.h
src/gromacs/modularsimulator/simulatoralgorithm.cpp