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

#include <stdlib.h>
#include <stdio.h>
#include <pthread.h>
#include <math.h>
#include <float.h>
#include <string.h>
#include "../config.h"
#include <omp.h>
#include "cycle.h"
#include "errs.h"
#include "fptype.h"
#include "lock.h"
#include "part.h"
#include "cell.h"
#include "fifo.h"
#include "space.h"
#include "potential.h"
#include "runner.h"
#include "bond.h"
#include "rigid.h"
#include "angle.h"
#include "dihedral.h"
#include "exclusion.h"
#include "reader.h"
#include "engine.h"

Defines
#define	error(id)   ( engine_err = errs_register( id , engine_err_msg[-(id)] , __LINE__ , __FUNCTION__ , __FILE__ ) )
Functions
int	engine_rigid_add (struct engine *e, int pid, int pjd, double d)
	Add a rigid constraint to the engine.
int	engine_rigid_unsort (struct engine *e)
	Shuffle the rigid constraints randomly.
int	engine_rigid_sort (struct engine *e)
	Split the rigids into local, semilocal and non-local.
int	engine_rigid_eval (struct engine *e)
	Resolve the constraints.

---

Define Documentation

#define error

(

id

)

( engine_err = errs_register( id , engine_err_msg[-(id)] , __LINE__ , __FUNCTION__ , __FILE__ ) )

---

Function Documentation

int engine_rigid_add	(	struct engine *	e,
		int	pid,
		int	pjd,
		double	d
	)

Add a rigid constraint to the engine.

Parameters:

e	The engine.
pid	The ID of the first part.
pjd	The ID of the second part.

Returns:

The index of the rigid constraint or < 0 on error (see engine_err).

Beware that currently all particles have to have been inserted before the rigid constraints are added!

int engine_rigid_eval

(

struct engine *

e

)

Resolve the constraints.

Parameters:

e	The engine.

Returns:

engine_err_ok or < 0 on error (see engine_err).

Note that if in parallel, engine_rigid_sort should be called before this routine.

int engine_rigid_sort

(

struct engine *

e

)

Split the rigids into local, semilocal and non-local.

Parameters:

e	The engine.

Returns:

engine_err_ok or < 0 on error (see engine_err).

int engine_rigid_unsort

(

struct engine *

e

)

Shuffle the rigid constraints randomly.

Parameters:

e	The engine.

Returns:

engine_err_ok or < 0 on error (see engine_err).