modularsimulator.h File Reference

#include <memory>
#include <utility>
#include "gromacs/mdrun/isimulator.h"

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Description

Provides the modular simulator.

Defines the ModularSimulator class. Provides ModularSimulator::isInputCompatible() utility function to determine whether the ModularSimulator should be used.

Author

Pascal Merz pasca.nosp@m.l.me.nosp@m.rz@me.nosp@m..com

This header is currently the only part of the modular simulator module which is exposed. Mdrunner creates an object of type ModularSimulator (via SimulatorBuilder), and calls its run() method. Mdrunner also calls isInputCompatible(...). This could easily become a free function if this requires more exposure than otherwise necessary.

Classes
class	gmx::ModularSimulator
	The modular simulator. More...