mdcore  0.1.5
Data Structures | Defines | Functions | Variables
/home/pedro/work/mdcore/src/angle.h File Reference

Go to the source code of this file.

Data Structures

struct  angle

Defines

#define angle_err_ok   0
#define angle_err_null   -1
#define angle_err_malloc   -2

Functions

int angle_eval (struct angle *a, int N, struct engine *e, double *epot_out)
 Evaluate a list of angleed interactions.
int angle_evalf (struct angle *a, int N, struct engine *e, FPTYPE *f, double *epot_out)
 Evaluate a list of angleed interactions.
int angle_eval_mod (struct angle *a, int N, int nr_threads, int cid_mod, struct engine *e, double *epot_out)
int angle_eval_div (struct angle *a, int N, int nr_threads, int cid_div, struct engine *e, double *epot_out)
 Evaluate a list of angleed interactions.

Variables

int angle_err

Define Documentation

#define angle_err_malloc   -2
#define angle_err_null   -1
#define angle_err_ok   0

Function Documentation

int angle_eval ( struct angle a,
int  N,
struct engine e,
double *  epot_out 
)

Evaluate a list of angleed interactions.

Parameters:
bPointer to an array of angle.
NNr of angles in b.
ePointer to the engine in which these angles are evaluated.
epot_outPointer to a double in which to aggregate the potential energy.
Returns:
angle_err_ok or <0 on error (see angle_err)
int angle_eval_div ( struct angle a,
int  N,
int  nr_threads,
int  cid_div,
struct engine e,
double *  epot_out 
)

Evaluate a list of angleed interactions.

Parameters:
bPointer to an array of angle.
NNr of angles in b.
nr_threadsNumber of computational threads.
cid_divcell id modulus.
ePointer to the engine in which these angles are evaluated.
epot_outPointer to a double in which to aggregate the potential energy.
Returns:
angle_err_ok or <0 on error (see angle_err)

Computes only the interactions on particles inside cells c where c->id % nr_threads == cid_div.

int angle_eval_mod ( struct angle a,
int  N,
int  nr_threads,
int  cid_mod,
struct engine e,
double *  epot_out 
)
int angle_evalf ( struct angle a,
int  N,
struct engine e,
FPTYPE *  f,
double *  epot_out 
)

Evaluate a list of angleed interactions.

Parameters:
bPointer to an array of angle.
NNr of angles in b.
ePointer to the engine in which these angles are evaluated.
epot_outPointer to a double in which to aggregate the potential energy.

This function differs from angle_eval in that the forces are added to the array f instead of directly in the particle data.

Returns:
angle_err_ok or <0 on error (see angle_err)

Variable Documentation

int angle_err

ID of the last error

The ID of the last error.

 All Data Structures Files Functions Variables Typedefs Enumerator Defines