} t_atom;
#define ATOM_ATTR_FP 0x01 /* fixed position (bulk material) */
#define ATOM_ATTR_HB 0x02 /* coupled to heat bath (velocity scaling) */
} t_atom;
#define ATOM_ATTR_FP 0x01 /* fixed position (bulk material) */
#define ATOM_ATTR_HB 0x02 /* coupled to heat bath (velocity scaling) */
int (*pf_func3b)(struct s_moldyn *,t_atom *,t_atom *,t_atom *);
int (*pf_func3b)(struct s_moldyn *,t_atom *,t_atom *,t_atom *);
unsigned int ewrite; /* how often to log energy */
char efb[64]; /* energy log filename */
int efd; /* fd for energy log */
unsigned int ewrite; /* how often to log energy */
char efb[64]; /* energy log filename */
int efd; /* fd for energy log */
#define MOLDYN_STAT_PBX 0x08 /* periodic boudaries in x */
#define MOLDYN_STAT_PBY 0x10 /* y */
#define MOLDYN_STAT_PBZ 0x20 /* and z direction */
#define MOLDYN_STAT_PBX 0x08 /* periodic boudaries in x */
#define MOLDYN_STAT_PBY 0x10 /* y */
#define MOLDYN_STAT_PBZ 0x20 /* and z direction */
int moldyn_init(t_moldyn *moldyn,int argc,char **argv);
int moldyn_shutdown(t_moldyn *moldyn);
int moldyn_init(t_moldyn *moldyn,int argc,char **argv);
int moldyn_shutdown(t_moldyn *moldyn);
-int create_lattice(unsigned char type,int element,double mass,double lc,
+int create_lattice(u8 type,int element,double mass,double lc,
int a,int b,int c,t_atom **atom);
int destroy_lattice(t_atom *atom);
int thermal_init(t_moldyn *moldyn);
int a,int b,int c,t_atom **atom);
int destroy_lattice(t_atom *atom);
int thermal_init(t_moldyn *moldyn);