diff --git a/src/atom_vec_ellipsoid.cpp b/src/atom_vec_ellipsoid.cpp index 8a3ab90aaf..b8e711f142 100755 --- a/src/atom_vec_ellipsoid.cpp +++ b/src/atom_vec_ellipsoid.cpp @@ -186,7 +186,7 @@ void AtomVecEllipsoid::copy_bonus(int i, int j) this may create or delete entry in bonus data ------------------------------------------------------------------------- */ -void AtomVecEllipsoid::set_bonus(int i, +void AtomVecEllipsoid::set_shape(int i, double shapex, double shapey, double shapez) { if (ellipsoid[i] < 0) { diff --git a/src/atom_vec_ellipsoid.h b/src/atom_vec_ellipsoid.h index f0b176e150..537f1eaab7 100755 --- a/src/atom_vec_ellipsoid.h +++ b/src/atom_vec_ellipsoid.h @@ -68,12 +68,13 @@ class AtomVecEllipsoid : public AtomVec { // manipulate Bonus data structure for extra atom info - void grow_bonus(); - void copy_bonus(int, int); - void set_bonus(int, double, double, double); void clear_bonus(); void data_atom_bonus(int, char **); + // unique to AtomVecEllipsoid + + void set_shape(int, double, double, double); + private: double PI; int *tag,*type,*mask,*image; @@ -83,6 +84,9 @@ class AtomVecEllipsoid : public AtomVec { int *ellipsoid; int nlocal_bonus,nghost_bonus,nmax_bonus; + + void grow_bonus(); + void copy_bonus(int, int); }; } diff --git a/src/set.cpp b/src/set.cpp index ee7cc89fce..fc8b894edf 100644 --- a/src/set.cpp +++ b/src/set.cpp @@ -381,7 +381,7 @@ void Set::set(int keyword) // set shape else if (keyword == SHAPE) - avec_ellipsoid->set_bonus(i,0.5*xvalue,0.5*yvalue,0.5*zvalue); + avec_ellipsoid->set_shape(i,0.5*xvalue,0.5*yvalue,0.5*zvalue); // set rmass via density // if radius > 0.0, treat as sphere