include/random.h

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  38
  39 #ifndef _random_h
  40 #define _random_h
  41 #include "visibility.h"
  42 #include "typedefs.h"
  43
  44 #ifdef __cplusplus
  45 extern "C" {
  46 #endif
  47
  48 GMX_LIBGMX_EXPORT
  49 int make_seed(void);
  50 /* Make a random seed: (time+getpid) % 1000000 */
  51
  52 GMX_LIBGMX_EXPORT
  53 real rando(int *seed);
  54 /* Generate a random number 0 <= r < 1. seed is the (address of) the
  55  * random seed variable.
  56  */
  57
  58 GMX_LIBGMX_EXPORT
  59 void maxwell_speed(real tempi, int seed,
  60                    gmx_mtop_t *mtop, rvec v[]);
  61 /* Generate velocites according to a maxwellian distribution */
  62
  63 real calc_cm(FILE *log, int natoms, real mass[], rvec x[], rvec v[],
  64              rvec xcm, rvec vcm, rvec acm, matrix L);
  65 /* Calculate the c.o.m. position, velocity, acceleration and the
  66  * moment of Inertia. Returns the total mass.
  67  */
  68
  69 GMX_LIBGMX_EXPORT
  70 void stop_cm(FILE *log, int natoms, real mass[], rvec x[], rvec v[]);
  71
  72 #ifdef __cplusplus
  73 }
  74 #endif
  75
  76 #endif  /* _random_h */