diff --git a/org/qmckl_ao.org b/org/qmckl_ao.org index b1734de..1e10ccf 100644 --- a/org/qmckl_ao.org +++ b/org/qmckl_ao.org @@ -6521,8 +6521,25 @@ qmckl_compute_ao_vgl_hpc_gaussian ( exp_mat[iprim][4] = f * (3.0 - 2.0 * ar2[iprim]); } - + /* --- */ + switch (8) { + case(5): + + for (int i=0 ; i