set molecule ids for testing interlayer potentials

MerdanB · Aug 7, 2020 · 7aae5ba · 7aae5ba
1 parent 17b7476
commit 7aae5ba
Showing 1 changed file with 3 additions and 0 deletions.
diff --git a/unittest/force-styles/test_pair_style.cpp b/unittest/force-styles/test_pair_style.cpp
@@ -1163,11 +1163,14 @@ TEST(PairStyle, single)
     }
 
     // create (only) two atoms
+
     command("mass * 1.0");
     command("create_atoms 1 single 0.0 -0.75  0.4 units box");
     command("create_atoms 2 single 1.5  0.25 -0.1 units box");
     command("set atom 1 charge -0.5");
     command("set atom 2 charge  0.5");
+    command("set atom 1 mol 1");
+    command("set atom 2 mol 2");
     command("special_bonds lj/coul 1.0 1.0 1.0");
 
     if (molecular) {