| commit | 627d44726dd0a9b29719ddc5d080adda87730e45 | |
| author | Pascal Merz <pascal.merz@me.com> | |
| Tue, 8 Sep 2020 02:40:22 +0000 (7 20:40 -0600) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Fri, 18 Sep 2020 15:26:03 +0000 (18 15:26 +0000) | ||
| tree | 1c5868d5f2e76f0a5b6c3879b83f929555188dbd | treesnapshot (tar.gz zip) |
| parent | d06d65e49f403b9655b19070a6410e3b2f70802f | commitdiff |
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
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 | diffblobblamehistory | |
| src/gromacs/modularsimulator/velocityscalingtemperaturecoupling.h | diffblobblamehistory |