Gromacs
2019
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#include <memory>
#include "gromacs/hardware/hw_info.h"
Provide ways for client code to own simulation resources.
For gmx mdrun
to be implemented as a client program, public API needs to provide a way to create and manipulate the SimulationContext.
Classes | |
class | gmx::SimulationContext |
Simulation environment and configuration. More... | |
Functions | |
SimulationContext | gmx::createSimulationContext (t_commrec *simulationCommunicator) |
Get ownership of a new SimulationContext object. More... | |