Implement pull for modular simulator
authorPascal Merz <pascal.merz@me.com>
Wed, 6 Oct 2021 21:37:46 +0000 (21:37 +0000)
committerPascal Merz <pascal.merz@me.com>
Wed, 6 Oct 2021 21:37:46 +0000 (21:37 +0000)
commit066ab51a001e9abc999987e43062e1cd0958b03f
tree27a98ad7765a15ad1775194818878007308d078c
parent5f8641feca9b7f75c359f0ab33a12711258b1f59
Implement pull for modular simulator
12 files changed:
src/gromacs/mdlib/update_vv.cpp
src/gromacs/mdrun/md.cpp
src/gromacs/modularsimulator/energydata.cpp
src/gromacs/modularsimulator/energydata.h
src/gromacs/modularsimulator/modularsimulator.cpp
src/gromacs/modularsimulator/pullelement.cpp [new file with mode: 0644]
src/gromacs/modularsimulator/pullelement.h [new file with mode: 0644]
src/gromacs/modularsimulator/simulatoralgorithm.cpp
src/gromacs/pulling/pull.cpp
src/gromacs/pulling/pull.h
src/gromacs/pulling/pullutil.cpp
src/programs/mdrun/tests/simulator.cpp