Gromacs
2024.4
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#include <memory>
#include <string>
#include "gromacs/mdrunutility/multisim.h"
#include "gromacs/utility/gmxmpi.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::ArrayRef< typename > |
STL-like interface to a C array of T (or part of a std container of T). More... | |
class | gmx::SimulationContext |
Simulation environment and configuration. More... | |