Gromacs
2024.4
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#include <gromacs/mdrun/isimulator.h>
The Simulator interface.
This is the general interface for any type of simulation type run with GROMACS. This allows having a builder return different Simulator objects based on user input.
Public Member Functions | |
virtual void | run ()=0 |
The simulation run. More... | |
virtual | ~ISimulator ()=default |
Standard destructor. | |
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pure virtual |
The simulation run.
This will be called by the owner of the simulator object. To be redefined by the child classes. This function is expected to run the simulation.
Implemented in gmx::LegacySimulator, and gmx::ModularSimulator.