fixed a grammar mistake

src/pair_smatb.cpp

@@ -82,7 +82,7 @@ void PairSMATB::compute(int eflag, int vflag)
   double dijsq, dij;
   double espo, aexpp, qsiexpq, eb_i, Fb, Fr;
   double polyval, polyval2, polyval3, polyval4, polyval5;
-  //sets up the flags for energy caclulations
+  //sets up the flags for energy calculations
   if (eflag || vflag) {
     ev_setup(eflag, vflag);
     eng_vdwl = 0;

src/pair_smatb.h

@@ -49,7 +49,7 @@ class PairSMATB : public Pair {
   virtual void allocate();
   // allocated size of per-atom arrays
   int nmax;
-  //allocated to store up caclulation values
+  //allocated to store up calculation values
   double *on_eb{nullptr};
   // interaction radius, user-given
   double **r0{nullptr};

src/pair_smatb_single.cpp

@@ -66,7 +66,7 @@ void PairSMATBSingle::compute(int eflag, int vflag)
   double dijsq, dij;
   double espo, aexpp, qsiexpq, eb_i, Fb, Fr;
   double polyval, polyval2, polyval3, polyval4, polyval5;
-  //sets up the flags for energy caclulations
+  //sets up the flags for energy calculations
   if (eflag || vflag) {
     ev_setup(eflag, vflag);
     eng_vdwl = 0;

src/pair_smatb_single.h

@@ -49,7 +49,7 @@ class PairSMATBSingle : public Pair {
   virtual void allocate();
   // allocated size of per-atom arrays
   int nmax;
-  //allocated to store up caclulation values
+  //allocated to store up calculation values
   double *on_eb{nullptr};
   // interaction radius, user-given
   double r0;