include/mvdata.h

   1 /*
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  38
  39 #ifndef _mvdata_h
  40 #define _mvdata_h
  41 #include "visibility.h"
  42 #include "typedefs.h"
  43 #include "types/commrec.h"
  44
  45 #ifdef __cplusplus
  46 extern "C" {
  47 #endif
  48
  49 GMX_LIBGMX_EXPORT
  50 void bcast_ir_mtop(const t_commrec *cr,
  51                          t_inputrec *inputrec,gmx_mtop_t *mtop);
  52 /* Broadcasts ir and mtop from the master to all nodes in cr->mpi_comm_mygroup.
  53  */
  54
  55 GMX_LIBGMX_EXPORT
  56 void bcast_state_setup(const t_commrec *cr,t_state *state);
  57 /* Broadcasts the state sizes and flags
  58  * from the master to all nodes in cr->mpi_comm_mygroup.
  59  * The arrays are not broadcasted.
  60  */
  61
  62 GMX_LIBGMX_EXPORT
  63 void bcast_state(const t_commrec *cr,t_state *state,gmx_bool bAlloc);
  64 /* Broadcasts state from the master to all nodes in cr->mpi_comm_mygroup.
  65  * The arrays in state are allocated when bAlloc is TRUE.
  66  */
  67
  68
  69 /* Routines for particle decomposition only in mvxvf.c */
  70
  71 void move_cgcm(FILE *log,const t_commrec *cr,rvec cg_cm[]);
  72
  73 GMX_LIBMD_EXPORT
  74 void move_rvecs(const t_commrec *cr,gmx_bool bForward,gmx_bool bSum,
  75                        int left,int right,rvec vecs[],rvec buf[],
  76                        int shift,t_nrnb *nrnb);
  77
  78 void move_reals(const t_commrec *cr,gmx_bool bForward,gmx_bool bSum,
  79                        int left,int right,real reals[],real buf[],
  80                        int shift,t_nrnb *nrnb);
  81
  82 void move_x(FILE *log,const t_commrec *cr,
  83                    int left,int right,rvec x[],t_nrnb *nrnb);
  84
  85 void move_rborn(FILE *log,const t_commrec *cr,
  86                        int left,int right,real rborn[],t_nrnb *nrnb);
  87
  88 void move_f(FILE *log,const t_commrec *cr,
  89                    int left,int right,rvec f[],rvec fadd[],
  90                    t_nrnb *nrnb);
  91
  92 void move_gpol(FILE *log,const t_commrec *cr,
  93                       int left,int right,real gpol[],real gpol_add[],
  94                       t_nrnb *nrnb);
  95
  96 #ifdef __cplusplus
  97 }
  98 #endif
  99
 100 #endif  /* _mvdata_h */