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(parent: d06d65e) | patch
Refactor v-rescale thermostat to allow for other algorithms
authorPascal Merz <pascal.merz@me.com>
Tue, 8 Sep 2020 02:40:22 +0000 (20:40 -0600)
committerMark Abraham <mark.j.abraham@gmail.com>
Fri, 18 Sep 2020 15:26:03 +0000 (15:26 +0000)
commit627d44726dd0a9b29719ddc5d080adda87730e45
tree1c5868d5f2e76f0a5b6c3879b83f929555188dbdtree | snapshot
parentd06d65e49f403b9655b19070a6410e3b2f70802fcommit | diff
Refactor v-rescale thermostat to allow for other algorithms

This is pure refactoring, splitting the element class (interfaces with
the simulator and other objects) from the actual implementation of the
thermostat. This will allow to implement other thermostat algorithms
using the same infrastructure.

Refs #3423
src/gromacs/modularsimulator/velocityscalingtemperaturecoupling.cpp diff | blob | history
src/gromacs/modularsimulator/velocityscalingtemperaturecoupling.h diff | blob | history
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