diff --git a/devel/trexio/export_trexio_routines.irp.f b/devel/trexio/export_trexio_routines.irp.f index b226ce4..9d8381f 100644 --- a/devel/trexio/export_trexio_routines.irp.f +++ b/devel/trexio/export_trexio_routines.irp.f @@ -447,43 +447,39 @@ subroutine export_trexio if (export_mo_two_e_ints_cholesky) then print *, 'MO two-e integrals Cholesky' - PROVIDE mo_two_e_integrals_in_map + + rc = trexio_write_mo_2e_int_eri_cholesky_num(f, cholesky_ao_num) + call trexio_assert(rc, TREXIO_SUCCESS) icount = 0_8 offset = 0_8 - do l=1,mo_num - do k=1,mo_num - do j=l,mo_num - do i=k,mo_num - if (i==j .and. k 0_8) then - rc = trexio_write_mo_2e_int_eri(f, offset, icount, eri_index, eri_buffer) + rc = trexio_write_mo_2e_int_eri_cholesky(f, offset, icount, eri_index, eri_buffer) call trexio_assert(rc, TREXIO_SUCCESS) end if end if - ! One-e RDM ! ---------