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Merge pull request #145 from stefabat/master
Fix interface return type and remove unused dummy argument
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cffdef1dc5
@ -4521,7 +4521,7 @@ end interface
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if (rc /= TREXIO_SUCCESS) then
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trexio_write_$group_dset$ = rc
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else
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call trexio_strarray2str(dset, $group_dset_dim$, max_str_len, str_compiled)
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call trexio_strarray2str(dset, $group_dset_dim$, str_compiled)
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trexio_write_$group_dset$ = trexio_write_$group_dset$_low(trex_file, str_compiled, max_str_len)
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endif
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@ -6332,9 +6332,9 @@ trexio_mark_safety (trexio_t* const file, const int32_t safety_flag)
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#+begin_src f90 :tangle prefix_fortran.f90
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interface
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integer function trexio_info () bind(C)
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integer(c_int32_t) function trexio_info_c () bind(C, name="trexio_info")
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use, intrinsic :: iso_c_binding
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end function trexio_info
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end function trexio_info_c
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end interface
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#+end_src
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@ -6647,13 +6647,20 @@ def evaluate_nao_radial_all(nucleus_index, nucleus_coords, grid_start,
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* Fortran helper/wrapper functions
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#+begin_src f90 :tangle helper_fortran.f90
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contains
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integer function trexio_info ()
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implicit none
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trexio_info = trexio_info_c()
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end function trexio_info
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#+end_src
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The function below adapts the original C-based ~trexio_open~ for Fortran.
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This is needed due to the fact that strings in C are terminated by ~NULL~ character ~\0~
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unlike strings in Fortran.
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Note, that Fortran interface calls the main ~TREXIO~ API, which is written in C.
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#+begin_src f90 :tangle helper_fortran.f90
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contains
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integer(trexio_t) function trexio_open (filename, mode, back_end, rc_open)
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use, intrinsic :: iso_c_binding, only : c_null_char
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implicit none
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@ -6790,12 +6797,11 @@ contains
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C API. This is needed due to the fact that strings in C are terminated by ~NULL~ character ~\0~.
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#+begin_src f90 :tangle helper_fortran.f90
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subroutine trexio_strarray2str(str_array, max_num_str, max_len_str, str_res)
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subroutine trexio_strarray2str(str_array, max_num_str, str_res)
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use, intrinsic :: iso_c_binding, only : c_null_char
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implicit none
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integer(c_int64_t), intent(in), value :: max_num_str ! number of elements in strign array
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integer, intent(in), value :: max_len_str ! maximum length of a string in an array
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integer(c_int64_t), intent(in), value :: max_num_str ! number of elements in string array
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character(len=*), intent(in) :: str_array(*)
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character(len=:), allocatable, intent(out) :: str_res
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integer(c_int64_t) :: i
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