diff --git a/org/qmckl_mo.org b/org/qmckl_mo.org index 79d031f..a884ed6 100644 --- a/org/qmckl_mo.org +++ b/org/qmckl_mo.org @@ -815,7 +815,7 @@ assert (rc == QMCKL_SUCCESS); // double mo_vgl[5][walk_num][elec_num][chbrclf_mo_num]; // rc = qmckl_get_mo_basis_vgl(context, &(mo_vgl[0][0][0][0])); // assert (rc == QMCKL_SUCCESS); -// ovlmo1 += mo_vgl[0][0][0][0]; +// ovlmo1 += mo_vgl[0][0][0][0]*mo_vgl[0][0][0][0]*dr3; // } // } //}