revert change that introduced a bug

src/GPU/pair_lj_charmm_coul_charmm_gpu.cpp

@@ -133,6 +133,15 @@ void PairLJCharmmCoulCharmmGPU::init_style()
     error->all(FLERR,
       "Cannot use newton pair with lj/charmm/coul/long/gpu pair style");
 
+  // Repeated cutsq calculation in init_one() is required for GPU package
+
+  for (int i = 1; i <= atom->ntypes; i++) {
+    for (int j = i; j <= atom->ntypes; j++) {
+      if (setflag[i][j] != 0 || (setflag[i][i] != 0 && setflag[j][j] != 0))
+        init_one(i,j);
+    }
+  }
+
   cut_lj_innersq = cut_lj_inner * cut_lj_inner;
   cut_coul_innersq = cut_coul_inner * cut_coul_inner;
   cut_ljsq = cut_lj * cut_lj;