#include "types/membedt.h"
#include "types/globsig.h"
-#include "thread_mpi/threads.h"
-
#ifdef __cplusplus
extern "C" {
#endif
ddnoSEL, ddnoINTERLEAVE, ddnoPP_PME, ddnoCARTESIAN, ddnoNR
};
-/* Variables for temporary use with the deform option,
- * used in runner.c and md.c.
- * (These variables should be stored in the tpx file.)
- */
-extern gmx_int64_t deform_init_init_step_tpx;
-extern matrix deform_init_box_tpx;
-extern tMPI_Thread_mutex_t deform_init_box_mutex;
-
-#ifdef GMX_THREAD_MPI
-/* The minimum number of atoms per tMPI thread. With fewer atoms than this,
- * the number of threads will get lowered.
- */
-#define MIN_ATOMS_PER_MPI_THREAD 90
-#define MIN_ATOMS_PER_GPU 900
-#endif
-
-
typedef double gmx_integrator_t (FILE *log, t_commrec *cr,
int nfile, const t_filenm fnm[],
const output_env_t oenv, gmx_bool bVerbose,