From d91c7f38f6dbd1da75a2fb657e300658d7fabfc8 Mon Sep 17 00:00:00 2001 From: Evangelos Voyiatzis Date: Mon, 17 Dec 2018 18:03:25 +0100 Subject: [PATCH] Update pair_lj_class2_coul_cut.cpp --- src/CLASS2/pair_lj_class2_coul_cut.cpp | 14 ++++++++++++++ 1 file changed, 14 insertions(+) diff --git a/src/CLASS2/pair_lj_class2_coul_cut.cpp b/src/CLASS2/pair_lj_class2_coul_cut.cpp index 5cd5ad0e32..8c1a5bf560 100644 --- a/src/CLASS2/pair_lj_class2_coul_cut.cpp +++ b/src/CLASS2/pair_lj_class2_coul_cut.cpp @@ -14,6 +14,7 @@ #include #include #include +#include #include "pair_lj_class2_coul_cut.h" #include "atom.h" #include "comm.h" @@ -466,3 +467,16 @@ double PairLJClass2CoulCut::single(int i, int j, int itype, int jtype, return eng; } + +/* ---------------------------------------------------------------------- */ + +void *PairLJClass2CoulCut::extract(const char *str, int &dim) +{ + dim = 0; + if (strcmp(str,"cut_coul") == 0) return (void *) &cut_coul; + dim = 2; + if (strcmp(str,"epsilon") == 0) return (void *) epsilon; + if (strcmp(str,"sigma") == 0) return (void *) sigma; + return NULL; +} +