diff --git a/src/pair_morse.cpp b/src/pair_morse.cpp index a71ff45397..7c1b12d1e5 100644 --- a/src/pair_morse.cpp +++ b/src/pair_morse.cpp @@ -14,6 +14,7 @@ #include "math.h" #include "stdio.h" #include "stdlib.h" +#include "string.h" #include "pair_morse.h" #include "atom.h" #include "comm.h" @@ -346,3 +347,14 @@ double PairMorse::single(int i, int j, int itype, int jtype, double rsq, phi = d0[itype][jtype] * (dexp*dexp - 2.0*dexp) - offset[itype][jtype]; return factor_lj*phi; } + +/* ---------------------------------------------------------------------- */ + +void *PairMorse::extract(const char *str, int &dim) +{ + dim = 2; + if (strcmp(str,"d") == 0) return (void *) d0; + if (strcmp(str,"r0") == 0) return (void *) r0; + if (strcmp(str,"alpha") == 0) return (void *) alpha; + return NULL; +} diff --git a/src/pair_morse.h b/src/pair_morse.h index 72d0a59ae5..83cf3276e3 100644 --- a/src/pair_morse.h +++ b/src/pair_morse.h @@ -40,6 +40,7 @@ class PairMorse : public Pair { void write_data(FILE *); void write_data_all(FILE *); double single(int, int, int, int, double, double, double, double &); + void *extract(const char *, int &); protected: double cut_global;