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#ifndef hdf5_simresults_h
#define hdf5_simresults_h
#define HDF5_FRAMESET_NAME "frame-set-1"
#ifdef __cplusplus
extern "C" {
#endif
typedef struct {
char pbc[4];
char integrator[8];
char ns_type[8];
int nsteps, nstcgsteep, nstlist;
float rlist, rcoulomb, rvdw, epsilon_r, emtol, emstep;
} HDF5inputParameters;
typedef struct {
int gotSIGTERM, converged, convergedToMachinePrecision;
int finalStep;
float totalEnergy, maxForce;
} HDF5resultsData;
#ifdef WIN32
bool checkNamedMutex(const char* name);
#endif
void openHDF5dataStore(const char* dataStoreName);
void addHDF5inputParameters(const HDF5inputParameters* inputParams);
void addHDF5resultsData(const HDF5resultsData* resultsData);
void addHDF5frame(float time);
void addHDF5atomIds(const unsigned int* atomIds, unsigned int atomCount);
void addHDF5atomicNumbers(const unsigned int* atomicNumbers,
unsigned int atomCount);
void addHDF5bonds(const void* bonds, unsigned int bondCount);
void addHDF5atomCoordinates(const float* coordinates,
unsigned int atomCount);
void closeHDF5dataStore();
#ifdef __cplusplus
} // extern "C" {
#endif
#endif
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