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Add missing deallocation and error handling

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Evgeny Posenitskiy 2022-06-28 10:15:38 +02:00 committed by GitHub
parent 5f259d8e19
commit a77021c9d3
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1 changed files with 17 additions and 5 deletions
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examples.org
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@ -286,10 +286,10 @@ program test
use trexio
implicit none
character*(128) :: filename ! Name of the input file
integer(trexio_exit_code) :: rc ! Return code for error checking
integer(trexio_t) :: trex_determinant_file
character*(128) :: err_msg ! Error message
character*(128) :: filename ! Name of the input file
integer(trexio_exit_code) :: rc ! Return code for error checking
integer(trexio_t) :: trex_determinant_file ! TREXIO file handle
character*(128) :: err_msg ! Error message
integer*8, allocatable :: buffer(:,:,:)
@ -309,9 +309,19 @@ program test
end if
rc = trexio_read_determinant_num(trex_determinant_file, ndet)
if (rc /= TREXIO_SUCCESS) then
call trexio_string_of_error(rc, err_msg)
print *, 'Error reading determinant_num: '//trim(err_msg)
stop
end if
print *, 'ndet', ndet
rc = trexio_get_int64_num(trex_determinant_file, int64_num)
if (rc /= TREXIO_SUCCESS) then
call trexio_string_of_error(rc, err_msg)
print *, 'Error reading int64_num: '//trim(err_msg)
stop
end if
print *, 'int64_num', int64_num
BUFSIZE = 1000_8
@ -334,7 +344,9 @@ program test
print '(100(I3,X))', (orb_list_up(1:occ_num_up)), (orb_list_dn(1:occ_num_dn))
print *, ''
end do
end do
end do
deallocate(buffer, orb_list_dn, orb_list_up)
end
#+end_src