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Commented MO energies

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This commit is contained in:
Anthony Scemama 2022-11-30 17:36:02 +01:00
parent aa745a2b57
commit c379376737
1 changed files with 4 additions and 4 deletions
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8
devel/trexio/export_trexio.irp.f
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@ -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