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modularsimulator.h File Reference
#include "gromacs/mdrun/isimulator.h"
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Provides the modular simulator.

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

Pascal Merz

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 checkUseModularSimulator(...), which in turns calls a static method of ModularSimulator. This could easily become a free function if this requires more exposure than otherwise necessary.


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


template<typename... Ts>
auto gmx::checkUseModularSimulator (Ts &&...args) -> decltype(ModularSimulator::isInputCompatible(std::forward< Ts >(args)...))
 Whether or not to use the ModularSimulator. More...