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38 #include "simulationinput.h"
40 #include "gromacs/fileio/checkpoint.h"
41 #include "gromacs/fileio/tpxio.h"
42 #include "gromacs/mdtypes/inputrec.h"
43 #include "gromacs/mdtypes/observableshistory.h"
44 #include "gromacs/mdtypes/state.h"
49 void applyGlobalSimulationState(const SimulationInput& simulationInput,
50 PartialDeserializedTprFile* partialDeserializedTpr,
52 t_inputrec* inputRecord,
53 gmx_mtop_t* molecularTopology)
55 *partialDeserializedTpr = read_tpx_state(
56 simulationInput.tprFilename_.c_str(), inputRecord, globalState, molecularTopology);
59 void applyLocalState(const SimulationInput& simulationInput,
63 t_inputrec* inputRecord,
65 ObservablesHistory* observablesHistory,
66 bool reproducibilityRequested,
67 const MDModulesNotifiers& mdModulesNotifiers,
68 gmx::ReadCheckpointDataHolder* modularSimulatorCheckpointData,
69 const bool useModularSimulator)
71 load_checkpoint(simulationInput.cpiFilename_.c_str(),
78 reproducibilityRequested,
80 modularSimulatorCheckpointData,
84 } // end namespace gmx