// Set symmetry C2v, D2 or D2h
void setSymmetryC2v(API::IFunction &fun) {
fun.clearTies();
fun.unfixParameter("B20");
fun.unfixParameter("B40");
fun.unfixParameter("B60");
fixx(fun, "B21");
free(fun, "B22", real);
fixx(fun, "B41");
free(fun, "B42", real);
fixx(fun, "B43");
free(fun, "B44", real);
fixx(fun, "B61");
free(fun, "B62", real);
fixx(fun, "B63");
free(fun, "B64", real);
fixx(fun, "B65");
free(fun, "B66", real);
}
// Set symmetry T, Td, Th, O, or Oh
void setSymmetryT(API::IFunction &fun) {
fun.clearTies();
fun.setParameter("B20", 0.0);
fun.fixParameter("B20");
fun.unfixParameter("B40");
fun.unfixParameter("B60");
fixx(fun, "B21");
fixx(fun, "B22");
fixx(fun, "B41");
fixx(fun, "B42");
fixx(fun, "B43");
free(fun, "B44", real);
fixx(fun, "B61");
fixx(fun, "B62");
fixx(fun, "B63");
free(fun, "B64", real);
fixx(fun, "B65");
fixx(fun, "B66");
fun.tie("B44", "5*B40");
fun.tie("B64", "-21*B60");
}