From a3c676015beb19aa100a1a0750c922dbd2c8c9bd Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 4 Oct 2022 04:13:42 -0400
Subject: [PATCH] store squared cutoff as documented

---
 src/MISC/pair_list.cpp | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/src/MISC/pair_list.cpp b/src/MISC/pair_list.cpp
index ad3ef44717..588af2b01a 100644
--- a/src/MISC/pair_list.cpp
+++ b/src/MISC/pair_list.cpp
@@ -22,6 +22,7 @@
 #include "comm.h"
 #include "error.h"
 #include "force.h"
+#include "math_special.h"
 #include "memory.h"
 #include "text_file_reader.h"
 
@@ -31,6 +32,7 @@
 #include <map>
 
 using namespace LAMMPS_NS;
+using MathSpecial::square;
 
 enum { NONE = 0, HARM, MORSE, LJ126, QUARTIC };
 
@@ -286,7 +288,7 @@ void PairList::settings(int narg, char **arg)
           break;
         }
         if (values.has_next())
-          oneparam.cutsq = mypow(values.next_double(), 2);
+          oneparam.cutsq = square(values.next_double());
         else
           oneparam.cutsq = cut_global*cut_global;