Port changes to Kokkos

src/KOKKOS/atom_kokkos.cpp

@@ -165,6 +165,10 @@ void AtomKokkos::sort()
 
   if (nlocal == nmax) avec->grow(0);
 
+  // for triclinic, atoms must be in box coords (not lamda) to match bbox
+
+  if (domain->triclinic) domain->lamda2x(nlocal);
+
   sync(Host, ALL_MASK);
   modified(Host, ALL_MASK);
 
@@ -188,6 +192,10 @@ void AtomKokkos::sort()
     binhead[ibin] = i;
   }
 
+  // convert back to lamda coords
+
+  if (domain->triclinic) domain->x2lamda(nlocal);
+
   // permute = desired permutation of atoms
   // permute[I] = J means Ith new atom will be Jth old atom