engine Struct Reference

#include <engine.h>

Data Fields
unsigned int	flags
struct space	s
int	time
double	dt
int	max_type
int	nr_types
struct part_type *	types
struct potential **	p
struct potential **	p_bond
struct potential **	p_angle
struct potential **	p_dihedral
struct potential *	ep
pthread_mutex_t	barrier_mutex
pthread_cond_t	barrier_cond
pthread_cond_t	done_cond
int	barrier_count
int	nr_runners
struct runner *	runners
struct queue *	queues
int	nr_queues
int	nodeID
int	nr_nodes
struct engine_comm *	send
struct engine_comm *	recv
struct bond *	bonds
int	nr_bonds
int	bonds_size
struct exclusion *	exclusions
int	nr_exclusions
int	exclusions_size
struct rigid *	rigids
int *	part2rigid
int	nr_rigids
int	rigids_size
int	nr_constr
int	rigids_local
int	rigids_semilocal
double	tol_rigid
struct angle *	angles
int	nr_angles
int	angles_size
int	nr_anglepots
int	anglepots_size
struct dihedral *	dihedrals
int	nr_dihedrals
int	dihedrals_size
int	nr_dihedralpots
int	dihedralpots_size
ticks	timers [engine_timer_last]
struct engine_set *	sets
int	nr_sets

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Detailed Description

The engine structure.

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Field Documentation

int anglepots_size

struct angle* angles

List of angles.

int angles_size

pthread_cond_t barrier_cond

int barrier_count

pthread_mutex_t barrier_mutex

Mutexes, conditions and counters for the barrier

struct bond* bonds

List of bonds.

int bonds_size

int dihedralpots_size

struct dihedral* dihedrals

List of dihedrals.

int dihedrals_size

pthread_cond_t done_cond

double dt

struct potential* ep

The explicit electrostatic potential.

struct exclusion* exclusions

List of exclusions.

int exclusions_size

unsigned int flags

Some flags controlling how this engine works.

int max_type

What is the maximum nr of types?

int nodeID

The ID of the computational node we are on.

int nr_anglepots

int nr_angles

Nr. of angles.

int nr_bonds

Nr. of bonds.

int nr_constr

int nr_dihedralpots

int nr_dihedrals

Nr. of dihedrals.

int nr_exclusions

Nr. of exclusions.

int nr_nodes

int nr_queues

int nr_rigids

Nr. of rigids.

int nr_runners

Nr of runners

int nr_sets

int nr_types

struct potential** p

The interaction matrix

struct potential ** p_angle

struct potential ** p_bond

struct potential ** p_dihedral

int* part2rigid

List linking parts to rigids.

struct queue* queues

The queues for the runners.

struct engine_comm * recv

struct rigid* rigids

List of rigid bodies.

int rigids_local

int rigids_semilocal

int rigids_size

struct runner* runners

The runners

struct space s

The space on which to work

struct engine_comm* send

Lists of cells to exchange with other nodes.

struct engine_set* sets

Bonded sets.

int time

Time variables

ticks timers[engine_timer_last]

The Comm object for mpi. Pointers to device data for CUDA. Timers.

double tol_rigid

Rigid solver tolerance.

struct part_type* types

The particle types.

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The documentation for this struct was generated from the following file:

• /home/pedro/work/mdcore/src/engine.h