From 968e56694ff0a5bb2f87958265f1c8c2a399d3ec Mon Sep 17 00:00:00 2001 From: Evangelos Voyiatzis Date: Mon, 17 Dec 2018 18:02:27 +0100 Subject: [PATCH] Update pair_lj_class2.cpp --- src/CLASS2/pair_lj_class2.cpp | 11 +++++++++++ 1 file changed, 11 insertions(+) diff --git a/src/CLASS2/pair_lj_class2.cpp b/src/CLASS2/pair_lj_class2.cpp index 6451921dc5..e6546b1acc 100644 --- a/src/CLASS2/pair_lj_class2.cpp +++ b/src/CLASS2/pair_lj_class2.cpp @@ -14,6 +14,7 @@ #include #include #include +#include #include "pair_lj_class2.h" #include "atom.h" #include "comm.h" @@ -394,3 +395,13 @@ double PairLJClass2::single(int /*i*/, int /*j*/, int itype, int jtype, double r offset[itype][jtype]; return factor_lj*philj; } + +/* ---------------------------------------------------------------------- */ + +void *PairLJClass2::extract(const char *str, int &dim) +{ + dim = 2; + if (strcmp(str,"epsilon") == 0) return (void *) epsilon; + if (strcmp(str,"sigma") == 0) return (void *) sigma; + return NULL; +}