Remove explicit dependency of EnergyData on thermostat / barostats
authorPascal Merz <pascal.merz@me.com>
Mon, 12 Apr 2021 15:39:51 +0000 (15:39 +0000)
committerJoe Jordan <ejjordan12@gmail.com>
Mon, 12 Apr 2021 15:39:51 +0000 (15:39 +0000)
commit2e8da9f2ad7536ed0da612a977c6bfe0f89bc071
tree12cd2a4c3b3e0e3a848f5ba3d8e17565189afac3
parenta8138a0428499a16b50c12b477158f199867eb52
Remove explicit dependency of EnergyData on thermostat / barostats
src/gromacs/modularsimulator/energydata.cpp
src/gromacs/modularsimulator/energydata.h
src/gromacs/modularsimulator/modularsimulator.cpp
src/gromacs/modularsimulator/parrinellorahmanbarostat.cpp
src/gromacs/modularsimulator/parrinellorahmanbarostat.h
src/gromacs/modularsimulator/velocityscalingtemperaturecoupling.cpp
src/gromacs/modularsimulator/velocityscalingtemperaturecoupling.h