Gromacs
2024.4
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#include "gromacs/gpu_utils/hostallocator.h"
#include "gromacs/math/paddedvector.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/mdtypes/checkpointdata.h"
#include "gromacs/mdtypes/forcebuffers.h"
#include "gromacs/utility/keyvaluetree.h"
#include "modularsimulatorinterfaces.h"
#include "topologyholder.h"
Declares the state for the modular simulator.
This header is only used within the modular simulator module
Classes | |
class | gmx::StatePropagatorData |
StatePropagatorData and associated data. More... | |
class | gmx::StatePropagatorData::Element |
Element for StatePropagatorData. More... | |