diff --git a/org/qmckl_determinant.org b/org/qmckl_determinant.org index 9ea5d4b..8df83e5 100644 --- a/org/qmckl_determinant.org +++ b/org/qmckl_determinant.org @@ -1209,61 +1209,6 @@ double mo_vgl[5][elec_num][chbrclf_mo_num]; rc = qmckl_get_mo_basis_vgl(context, &(mo_vgl[0][0][0])); assert (rc == QMCKL_SUCCESS); -// Test overlap of MO -//double point_x[10]; -//double point_y[10]; -//double point_z[10]; -//int32_t npoints=10; -//// obtain points -//double dr = 20./(npoints-1); -//double dr3 = dr*dr*dr; -// -//for (int i=0;i