diff --git a/src/YAFF/improper_sqdistharm.cpp b/src/YAFF/improper_sqdistharm.cpp index f4beab3587..038063eae8 100644 --- a/src/YAFF/improper_sqdistharm.cpp +++ b/src/YAFF/improper_sqdistharm.cpp @@ -267,3 +267,15 @@ void ImproperSQDistHarm::read_restart(FILE *fp) for (int i = 1; i <= atom->nimpropertypes; i++) setflag[i] = 1; } + +/* ---------------------------------------------------------------------- + return ptr to internal members upon request +------------------------------------------------------------------------ */ + +void *ImproperSQDistHarm::extract(const char *str, int &dim) +{ + dim = 1; + if (strcmp(str, "k") == 0) return (void *) k; + if (strcmp(str, "chi") == 0) return (void *) chi; + return nullptr; +}