/home/pedro/work/mdcore/src/rigid.c File Reference

#include "../config.h"
#include <stdlib.h>
#include <stdio.h>
#include <pthread.h>
#include <math.h>
#include <float.h>
#include <string.h>
#include <limits.h>
#include "cycle.h"
#include "errs.h"
#include "fptype.h"
#include "lock.h"
#include "part.h"
#include "potential.h"
#include "cell.h"
#include "fifo.h"
#include "space.h"
#include "engine.h"
#include "rigid.h"

Defines
#define	error(id)   ( rigid_err = errs_register( id , rigid_err_msg[-(id)] , __LINE__ , __FUNCTION__ , __FILE__ ) )
Functions
int	rigid_eval_shake (struct rigid *rs, int N, struct engine *e)
	Evaluate (SHAKE) a list of rigid constraints.
Variables
int	rigid_err = rigid_err_ok
unsigned int	rigid_rcount = 0
char *	rigid_err_msg [3]

---

Define Documentation

#define error

(

id

)

( rigid_err = errs_register( id , rigid_err_msg[-(id)] , __LINE__ , __FUNCTION__ , __FILE__ ) )

---

Function Documentation

int rigid_eval_shake	(	struct rigid *	rs,
		int	N,
		struct engine *	e
	)

Evaluate (SHAKE) a list of rigid constraints.

Parameters:

rs	Pointer to an array of rigid.
N	Nr of rigids in r.
e	Pointer to the engine in which these rigids are evaluated.
epot_out	Pointer to a double in which to aggregate the potential energy.

Returns:

rigid_err_ok or <0 on error (see rigid_err)

---

Variable Documentation

int rigid_err = rigid_err_ok

The ID of the last error.

char* rigid_err_msg[3]

Initial value:

 {
        "Nothing bad happened.",
    "An unexpected NULL pointer was encountered.",
    "A call to malloc failed, probably due to insufficient memory."
        }

unsigned int rigid_rcount = 0