implement extract in improper sqdistharm

This commit is contained in:
Evangelos Voyiatzis
2025-02-06 17:23:40 +02:00
committed by GitHub
parent ee7b0840ef
commit 34e89bed4c

View File

@ -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;
}