Gromacs
2026.0-dev-20250215-e896270
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#include <cstdio>
#include <memory>
#include <optional>
#include <string>
#include <vector>
#include "gromacs/gpu_utils/hostallocator.h"
#include "gromacs/math/arrayrefwithpadding.h"
#include "gromacs/math/paddedvector.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/mdtypes/checkpointdata.h"
#include "gromacs/mdtypes/forcebuffers.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/keyvaluetree.h"
#include "gromacs/utility/real.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::CheckpointData< operation > |
} More... | |
class | gmx::ArrayRef< typename > |
STL-like interface to a C array of T (or part of a std container of T). More... | |
class | gmx::StatePropagatorData |
StatePropagatorData and associated data. More... | |
class | gmx::StatePropagatorData::Element |
Element for StatePropagatorData. More... | |