diff --git a/src/EXTRA-MOLECULE/improper_cossq.cpp b/src/EXTRA-MOLECULE/improper_cossq.cpp index 864ec28927..a25d324261 100644 --- a/src/EXTRA-MOLECULE/improper_cossq.cpp +++ b/src/EXTRA-MOLECULE/improper_cossq.cpp @@ -308,3 +308,15 @@ void ImproperCossq::write_data(FILE *fp) for (int i = 1; i <= atom->nimpropertypes; i++) fprintf(fp,"%d %g %g\n",i,k[i],chi[i]/MY_PI*180.0); } + +/* ---------------------------------------------------------------------- + return ptr to internal members upon request +------------------------------------------------------------------------ */ + +void *ImproperCossq::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; +}