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Add safe and Fortran APIs for determinants
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@ -38,12 +38,14 @@ echo "" >> trexio_f.f90
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# c front end
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cat populated/pop_*.c >> trexio.c
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cat populated/pop_*.h >> trexio.h
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# add determinant part
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cat hrw_determinant_front.h >> trexio.h
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cat *_determinant_front.c >> trexio.c
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# fortran front end
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cat populated/pop_*.f90 >> trexio_f.f90
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# add determinant part
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cat *_determinant_front_fortran.f90 >> trexio_f.f90
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# add helper functions
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cat helper_fortran.f90 >> trexio_f.f90
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cat populated/pop_*.fh_90 >> trexio_f.f90
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@ -4124,17 +4124,15 @@ def delete_$group$(trexio_file) -> None:
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*** C source code
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**** Function declarations
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#+begin_src c :tangle hrw_determinant_front.h :exports none
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trexio_exit_code trexio_has_determinant_list(trexio_t* const file);
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trexio_exit_code trexio_has_determinant_coefficient(trexio_t* const file);
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trexio_exit_code trexio_read_determinant_list(trexio_t* const file, const int64_t offset_file, int64_t* const buffer_size, int64_t* const dset);
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trexio_exit_code trexio_read_safe_determinant_list(trexio_t* const file, const int64_t offset_file, int64_t* const buffer_size, int64_t* const dset_out, const int64_t dim_out);
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trexio_exit_code trexio_write_determinant_list(trexio_t* const file, const int64_t offset_file, const int64_t buffer_size, const int64_t* dset);
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trexio_exit_code trexio_write_safe_determinant_list(trexio_t* const file, const int64_t offset_file, const int64_t buffer_size, const int64_t* dset_in, const int64_t dim_in);
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#+end_src
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**** Source code for default functions
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#+begin_src c :tangle read_determinant_front.c
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trexio_exit_code
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trexio_read_determinant_list (trexio_t* const file, const int64_t offset_file, int64_t* const buffer_size, int64_t* const dset)
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@ -4195,6 +4193,11 @@ trexio_read_determinant_list (trexio_t* const file, const int64_t offset_file, i
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}
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trexio_exit_code
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trexio_read_safe_determinant_list (trexio_t* const file, const int64_t offset_file, int64_t* const buffer_size, int64_t* const dset_out, const int64_t dim_out)
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{
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return trexio_read_determinant_list(file, offset_file, buffer_size, dset_out);
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}
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#+end_src
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#+begin_src c :tangle write_determinant_front.c
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@ -4269,6 +4272,11 @@ trexio_write_determinant_list (trexio_t* const file, const int64_t offset_file,
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return TREXIO_SUCCESS;
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}
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trexio_exit_code
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trexio_write_safe_determinant_list (trexio_t* const file, const int64_t offset_file, const int64_t buffer_size, const int64_t* dset_in, const int64_t dim_in)
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{
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return trexio_write_determinant_list(file, offset_file, buffer_size, dset_in);
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}
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#+end_src
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#+begin_src c :tangle has_determinant_front.c
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@ -4331,12 +4339,77 @@ trexio_has_determinant_coefficient (trexio_t* const file)
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}
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#+end_src
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*** TODO Fortran templates for front end
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*** Fortran interface
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The ~Fortran~ templates that provide an access to the ~C~ API calls from Fortran.
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These templates are based on the use of ~iso_c_binding~. Pointers have to be passed by value.
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#+begin_src f90 :tangle write_determinant_front_fortran.f90
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interface
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integer(trexio_exit_code) function trexio_write_determinant_list (trex_file, &
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offset_file, buffer_size, list) bind(C)
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use, intrinsic :: iso_c_binding
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import
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integer(c_int64_t), intent(in), value :: trex_file
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integer(c_int64_t), intent(in), value :: offset_file
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integer(c_int64_t), intent(in), value :: buffer_size
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integer(c_int64_t), intent(in) :: list(*)
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end function trexio_write_determinant_list
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end interface
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interface
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integer(trexio_exit_code) function trexio_write_safe_determinant_list (trex_file, &
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offset_file, buffer_size, &
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list, list_size) bind(C)
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use, intrinsic :: iso_c_binding
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import
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integer(c_int64_t), intent(in), value :: trex_file
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integer(c_int64_t), intent(in), value :: offset_file
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integer(c_int64_t), intent(in), value :: buffer_size
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integer(c_int64_t), intent(in) :: list(*)
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integer(c_int64_t), intent(in), value :: list_size
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end function trexio_write_safe_determinant_list
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end interface
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#+end_src
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#+begin_src f90 :tangle read_determinant_front_fortran.f90
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interface
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integer(trexio_exit_code) function trexio_read_determinant_list(trex_file, &
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offset_file, buffer_size, list) bind(C)
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use, intrinsic :: iso_c_binding
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import
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integer(c_int64_t), intent(in), value :: trex_file
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integer(c_int64_t), intent(in), value :: offset_file
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integer(c_int64_t), intent(inout) :: buffer_size
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integer(c_int64_t), intent(out) :: list(*)
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end function trexio_read_determinant_list
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end interface
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interface
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integer(trexio_exit_code) function trexio_read_safe_determinant_list (trex_file, &
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offset_file, buffer_size, &
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list, list_size) bind(C)
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use, intrinsic :: iso_c_binding
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import
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integer(c_int64_t), intent(in), value :: trex_file
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integer(c_int64_t), intent(in), value :: offset_file
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integer(c_int64_t), intent(inout) :: buffer_size
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integer(c_int64_t), intent(out) :: list(*)
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integer(c_int64_t), intent(in), value :: list_size
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end function trexio_read_safe_determinant_list
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end interface
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#+end_src
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#+begin_src f90 :tangle has_determinant_front_fortran.f90
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interface
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integer(trexio_exit_code) function trexio_has_determinant_list (trex_file) bind(C)
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use, intrinsic :: iso_c_binding
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import
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integer(c_int64_t), intent(in), value :: trex_file
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end function trexio_has_determinant_list
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end interface
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#+end_src
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*** TODO Python templates for front end
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* TODO General helper functions
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