Refactor. Fix bug in atom initialization.

This commit is contained in:
Jan Eitzinger
2020-08-19 09:00:35 +02:00
parent e7869286d7
commit 71ea8dbb0e
10 changed files with 108 additions and 45 deletions

View File

@@ -36,6 +36,7 @@ typedef struct {
double *fx, *fy, *fz;
} Atom;
extern void initAtom(Atom*);
extern void createAtom(Atom*, Parameter*);
extern void growAtom(Atom*);
#endif

View File

@@ -39,7 +39,7 @@ typedef struct {
} Neighbor;
extern void initNeighbor(Neighbor*, Parameter*);
extern void setupNeighbor(Parameter*);
extern void setupNeighbor();
extern void binatoms(Atom*);
extern void buildNeighbor(Atom*, Neighbor*);
#endif