diff --git a/org/qmckl_mo.org b/org/qmckl_mo.org index 2914c62..4c8be42 100644 --- a/org/qmckl_mo.org +++ b/org/qmckl_mo.org @@ -790,8 +790,8 @@ assert (rc == QMCKL_SUCCESS); assert(qmckl_mo_basis_provided(context)); -//double mo_vgl[5][walk_num][elec_num][chbrclf_ao_num]; -//rc = qmckl_get_mo_basis_vgl(context, &(mo_vgl[0][0][0][0])); +double mo_vgl[5][walk_num][elec_num][chbrclf_ao_num]; +rc = qmckl_get_mo_basis_vgl(context, &(mo_vgl[0][0][0][0])); //assert (rc == QMCKL_SUCCESS);