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...and the Fortran interfaces to the C-functions.
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@ -917,7 +917,7 @@ qmckl_exit_code qmckl_slagel_splitting (
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double* determinant );
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double* determinant );
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#+end_src
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#+end_src
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*** C source
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*** C sources
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#+begin_src c :tangle (eval c) :comments org
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#+begin_src c :tangle (eval c) :comments org
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qmckl_exit_code qmckl_slagel_splitting_hpc(
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qmckl_exit_code qmckl_slagel_splitting_hpc(
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uint64_t LDS,
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uint64_t LDS,
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@ -1147,10 +1147,102 @@ qmckl_exit_code qmckl_slagel_splitting(
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}
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}
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#+end_src
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#+end_src
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*** Fortran interfaces (exposed in qmckl_f.F90)
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:PROPERTIES:
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:Name: qmckl_slagel_splitting
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:CRetType: qmckl_exit_code
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:FRetType: qmckl_exit_code
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:END:
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#+CALL: generate_f_interface(table=qmckl_slagel_splitting_args,rettyp=get_value("FRetType"),fname="qmckl_slagel_splitting_hpc")
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#+RESULTS:
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#+begin_src f90 :tangle (eval fh_func) :comments org :exports none
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interface
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integer(c_int32_t) function qmckl_slagel_splitting_hpc &
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(LDS, Dim, N_updates, Updates, Updates_index, breakdown, Slater_inv, later_updates, later_index, later, determinant) &
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bind(C)
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use, intrinsic :: iso_c_binding
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import
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implicit none
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integer (c_int64_t) , intent(in) , value :: LDS
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integer (c_int64_t) , intent(in) , value :: Dim
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integer (c_int64_t) , intent(in) , value :: N_updates
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real (c_double ) , intent(in) :: Updates(N_updates*LDS)
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integer (c_int64_t) , intent(in) :: Updates_index(N_updates)
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real (c_double ) , intent(in) , value :: breakdown
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real (c_double ) , intent(inout) :: Slater_inv(Dim*LDS)
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real (c_double ) , intent(inout) :: later_updates(N_updates*LDS)
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integer (c_int64_t) , intent(inout) :: later_index(N_updates)
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integer (c_int64_t) , intent(inout) :: later
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real (c_double ) , intent(inout) :: determinant
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end function qmckl_slagel_splitting_hpc
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end interface
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#+end_src
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#+CALL: generate_f_interface(table=qmckl_slagel_splitting_args,rettyp=get_value("FRetType"),fname="qmckl_slagel_splitting_doc")
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#+RESULTS:
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#+begin_src f90 :tangle (eval fh_func) :comments org :exports none
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interface
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integer(c_int32_t) function qmckl_slagel_splitting_doc &
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(LDS, Dim, N_updates, Updates, Updates_index, breakdown, Slater_inv, later_updates, later_index, later, determinant) &
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bind(C)
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use, intrinsic :: iso_c_binding
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import
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implicit none
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integer (c_int64_t) , intent(in) , value :: LDS
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integer (c_int64_t) , intent(in) , value :: Dim
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integer (c_int64_t) , intent(in) , value :: N_updates
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real (c_double ) , intent(in) :: Updates(N_updates*LDS)
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integer (c_int64_t) , intent(in) :: Updates_index(N_updates)
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real (c_double ) , intent(in) , value :: breakdown
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real (c_double ) , intent(inout) :: Slater_inv(Dim*LDS)
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real (c_double ) , intent(inout) :: later_updates(N_updates*LDS)
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integer (c_int64_t) , intent(inout) :: later_index(N_updates)
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integer (c_int64_t) , intent(inout) :: later
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real (c_double ) , intent(inout) :: determinant
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end function qmckl_slagel_splitting_doc
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end interface
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#+end_src
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#+CALL: generate_f_interface(table=qmckl_slagel_splitting_args,rettyp=get_value("FRetType"),fname="qmckl_slagel_splitting")
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#+RESULTS:
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#+begin_src f90 :tangle (eval fh_func) :comments org :exports none
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interface
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integer(c_int32_t) function qmckl_slagel_splitting &
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(LDS, Dim, N_updates, Updates, Updates_index, breakdown, Slater_inv, later_updates, later_index, later, determinant) &
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bind(C)
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use, intrinsic :: iso_c_binding
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import
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implicit none
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integer (c_int64_t) , intent(in) , value :: LDS
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integer (c_int64_t) , intent(in) , value :: Dim
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integer (c_int64_t) , intent(in) , value :: N_updates
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real (c_double ) , intent(in) :: Updates(N_updates*LDS)
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integer (c_int64_t) , intent(in) :: Updates_index(N_updates)
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real (c_double ) , intent(in) , value :: breakdown
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real (c_double ) , intent(inout) :: Slater_inv(Dim*LDS)
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real (c_double ) , intent(inout) :: later_updates(N_updates*LDS)
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integer (c_int64_t) , intent(inout) :: later_index(N_updates)
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integer (c_int64_t) , intent(inout) :: later
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real (c_double ) , intent(inout) :: determinant
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end function qmckl_slagel_splitting
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end interface
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#+end_src
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*** Performance
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*** Performance
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This function cannot be used by itself and is used in Sherman-Morrison with update splitting and Woodbury 3x3 and 2x2
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This function cannot be used by itself and is used in Sherman-Morrison with update splitting and Woodbury 3x3 and 2x2
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with Sherman-Morrison and update splitting. Please look at the performance reccomendations for those two kernels.
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with Sherman-Morrison and update splitting. Please look at the performance reccomendations for those two kernels.
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* End of files
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* End of files
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#+begin_src c :comments link :tangle (eval c_test)
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#+begin_src c :comments link :tangle (eval c_test)
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