diff --git a/org/qmckl_mo.org b/org/qmckl_mo.org index b923f24..571c5ff 100644 --- a/org/qmckl_mo.org +++ b/org/qmckl_mo.org @@ -773,26 +773,32 @@ rc = qmckl_set_mo_basis_mo_num(context, mo_num); assert (rc == QMCKL_SUCCESS); const double * mo_coefficient = &(chbrclf_mo_coef[0]); -//const int64_t min_num = (((chbrclf_ao_num) < (mo_num)) ? (chbrclf_ao_num) : (mo_num)); -//for (int i=0; i