avoid redundant defines

src/KOKKOS/pair_reaxff_kokkos.h

@@ -37,8 +37,6 @@ PairStyle(reax/c/kk/host,PairReaxFFKokkos<LMPHostType>);
 #define HB_THRESHOLD   1e-2  // 0.01
 #define MAX_BONDS      30
 
-#define SQR(x)        ((x)*(x))
-
 #include "reaxff_inline.h"
 
 namespace LAMMPS_NS {

src/REAXFF/fix_qeq_reaxff.cpp

@@ -53,9 +53,7 @@ public:
   const char *what() const noexcept { return message.c_str(); }
 };
 
-#define EV_TO_KCAL_PER_MOL 14.4
-#define SQR(x) ((x)*(x))
-#define CUBE(x) ((x)*(x)*(x))
+static constexpr double EV_TO_KCAL_PER_MOL = 14.4;
 
 static const char cite_fix_qeq_reaxff[] =
   "fix qeq/reaxff command:\n\n"
@@ -689,7 +687,7 @@ double FixQEqReaxFF::calculate_H(double r, double gamma)
   Taper = Taper * r + Tap[0];
 
   denom = r * r * r + gamma;
-  denom = pow(denom,0.3333333333333);
+  denom = pow(denom,1.0/3.0);
 
   return Taper * EV_TO_KCAL_PER_MOL / denom;
 }