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modularsimulator.h File Reference
#include "gromacs/mdrun/isimulator.h"
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Description

Provides the modular simulator.

Defines the ModularSimulator class. Provides checkUseModularSimulator() 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 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.

Classes

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

Functions

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