diff --git a/devel/trexio/export_trexio.irp.f b/devel/trexio/export_trexio.irp.f index b364d18..f537fbc 100644 --- a/devel/trexio/export_trexio.irp.f +++ b/devel/trexio/export_trexio.irp.f @@ -340,10 +340,10 @@ subroutine run rc = trexio_write_mo_coefficient(f, mo_coef) call trexio_assert(rc, TREXIO_SUCCESS) - if (trim(mo_label) == 'Canonical') then - rc = trexio_write_mo_energy(f, fock_matrix_diag_mo) - call trexio_assert(rc, TREXIO_SUCCESS) - endif +! if (trim(mo_label) == 'Canonical') then +! rc = trexio_write_mo_energy(f, fock_matrix_diag_mo) +! call trexio_assert(rc, TREXIO_SUCCESS) +! endif ! One-e MO integrals