src/gromacs/mdlib/rbin.h

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  37 #ifndef GMX_MDLIB_RBIN_H
  38 #define GMX_MDLIB_RBIN_H
  39
  40 #include "gromacs/utility/real.h"
  41
  42 struct t_commrec;
  43
  44 typedef struct {
  45     int     nreal;
  46     int     maxreal;
  47     double *rbuf;
  48 } t_bin;
  49
  50 t_bin *mk_bin(void);
  51 /* Create a real bin */
  52
  53 void destroy_bin(t_bin *b);
  54 /* Destroy the bin structure */
  55
  56 void reset_bin(t_bin *b);
  57 /* Reset number of entries to zero */
  58
  59 int add_binr(t_bin *b, int nr, real r[]);
  60 int add_bind(t_bin *b, int nr, double r[]);
  61 /* Add reals to the bin. Returns index */
  62
  63 void sum_bin(t_bin *b, struct t_commrec *cr);
  64 /* Globally sum the reals in the bin */
  65
  66 void extract_binr(t_bin *b, int index, int nr, real r[]);
  67 void extract_bind(t_bin *b, int index, int nr, double r[]);
  68 /* Extract values from the bin, starting from index (see add_bin) */
  69
  70 #endif