git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4575 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/compute_group_group.cpp

@@ -66,8 +66,12 @@ ComputeGroupGroup::~ComputeGroupGroup()
 void ComputeGroupGroup::init()
 {
   if (force->pair == NULL)
-    error->all("Pair style does not support compute group/group");
-  if (force->pair->single_enable == 0)
+    error->all("No pair style defined for compute group/group");
+
+  // if non-hybrid, then error if single_enable = 0
+  // if hybrid, let hybrid determine if sub-style sets single_enable = 0
+
+  if (force->pair_match("hybrid",0) == NULL && force->pair->single_enable == 0)
     error->all("Pair style does not support compute group/group");
 
   pair = force->pair;

src/pair_hybrid.cpp

@@ -576,6 +576,7 @@ void PairHybrid::read_restart(FILE *fp)
 
 /* ----------------------------------------------------------------------
    call sub-style to compute single interaction
+   error if sub-style does not support single() call
    since overlay could have multiple sub-styles, sum results explicitly
 ------------------------------------------------------------------------- */
 
@@ -592,6 +593,8 @@ double PairHybrid::single(int i, int j, int itype, int jtype,
 
   for (int m = 0; m < nmap[itype][jtype]; m++) {
     if (rsq < styles[map[itype][jtype][m]]->cutsq[itype][jtype]) {
+      if (styles[map[itype][jtype][m]]->single_enable == 0)
+	error->all("Pair hybrid sub-style does not support single call");
       esum += styles[map[itype][jtype][m]]->
 	single(i,j,itype,jtype,rsq,factor_coul,factor_lj,fone);
       fforce += fone;