added feature to write_data.cpp to support "extra bonds" (angles,dihedrals,impropers,special).

src/write_data.cpp

@@ -240,6 +240,26 @@ void WriteData::header()
       fprintf(fp,BIGINT_FORMAT " impropers\n",atom->nimpropers);
       fprintf(fp,"%d improper types\n",atom->nimpropertypes);
     }
+    if (atom->extra_bond_per_atom > 0) {
+      fprintf(fp,BIGINT_FORMAT " extra bond per atom\n",
+	      atom->extra_bond_per_atom);
+    }
+    if (atom->extra_angle_per_atom > 0) {
+      fprintf(fp,BIGINT_FORMAT " extra angle per atom\n",
+	      atom->extra_angle_per_atom);
+    }
+    if (atom->extra_dihedral_per_atom > 0) {
+      fprintf(fp,BIGINT_FORMAT " extra dihedral per atom\n",
+	      atom->extra_dihedral_per_atom);
+    }
+    if (atom->extra_improper_per_atom > 0) {
+      fprintf(fp,BIGINT_FORMAT " extra improper per atom\n",
+	      atom->extra_improper_per_atom);
+    }
+    if (force->special_extra > 0) {
+      fprintf(fp,BIGINT_FORMAT " extra special per atom\n",
+	      force->special_extra);
+    }
   }
 
   for (int i = 0; i < modify->nfix; i++)