initial version of pair style hybrid/molecular

src/neigh_request.cpp

@@ -76,6 +76,7 @@ NeighRequest::NeighRequest(LAMMPS *_lmp) : Pointers(_lmp)
   skip = 0;
   iskip = nullptr;
   ijskip = nullptr;
+  molskip = 0;
 
   // only set when command = 1;
 
@@ -183,6 +184,8 @@ int NeighRequest::identical(NeighRequest *other)
 
 int NeighRequest::same_skip(NeighRequest *other)
 {
+  if (molskip != other->molskip) return 0;
+
   const int ntypes = atom->ntypes;
   int same = 1;
 
@@ -307,6 +310,12 @@ void NeighRequest::set_skip(int *_iskip, int **_ijskip)
   ijskip = _ijskip;
 }
 
+void NeighRequest::set_molskip(int _molskip)
+{
+  skip = 1;
+  molskip = _molskip;
+}
+
 void NeighRequest::enable_full()
 {
   half = 0;