Implement Berendsen thermostat for modular simulator
authorPascal Merz <pascal.merz@me.com>
Tue, 8 Sep 2020 03:03:50 +0000 (21:03 -0600)
committerMark Abraham <mark.j.abraham@gmail.com>
Wed, 23 Sep 2020 15:40:22 +0000 (15:40 +0000)
commit8a9e5571f06a684017652de2ecc831d0760e84b5
tree2dce7f238b3da6b58aeeab9394c87be7b1254fc0
parent28709a01818d2f2ef9933b801d595b6a6b0e04fe
Implement Berendsen thermostat for modular simulator

Refs #3423
src/gromacs/modularsimulator/modularsimulator.cpp
src/gromacs/modularsimulator/velocityscalingtemperaturecoupling.cpp
src/programs/mdrun/tests/exactcontinuation.cpp
src/programs/mdrun/tests/simulator.cpp