diff --git a/src/MISC/pair_list.cpp b/src/MISC/pair_list.cpp index f6ac2e3190..be4e2cf92b 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 using namespace LAMMPS_NS; +using MathSpecial::square; enum { NONE = 0, HARM, MORSE, LJ126 }; @@ -265,7 +267,7 @@ void PairList::settings(int narg, char **arg) break; } if (values.has_next()) - oneparam.cutsq = values.next_double(); + oneparam.cutsq = square(values.next_double()); else oneparam.cutsq = cut_global*cut_global;