diff --git a/org/qmckl_ao.org b/org/qmckl_ao.org index c396bd8..2e2409c 100644 --- a/org/qmckl_ao.org +++ b/org/qmckl_ao.org @@ -5799,12 +5799,14 @@ qmckl_compute_ao_value_hpc_gaussian (const qmckl_context context, #endif for (int64_t ipoint=0 ; ipoint < point_num ; ++ipoint) { +/* double* const ptr = &ao_value[ipoint*ao_num]; for (size_t k=0 ; k