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Added missing headers and interfaces.

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This commit is contained in:
Francois Coppens 2023-03-01 18:28:19 +01:00
parent 17398059d5
commit 5f888abe5b
1 changed files with 67 additions and 2 deletions
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69
org/qmckl_sherman_morrison_woodbury.org
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@ -1378,7 +1378,7 @@ interface
end interface end interface
#+end_src #+end_src
#+CALL: generate_f_interface(table=qmckl_sm_splitting_core_args,rettyp=get_value("FRetType"),fname="qmckl_sm_splitting_core") #+CALL: generate_f_interface(table=qmckl_sm_splitting_core_args,rettyp=get_value("FRetType"),fname=get_value("Name"))
#+RESULTS: #+RESULTS:
#+begin_src f90 :tangle (eval fh_func) :comments org :exports none #+begin_src f90 :tangle (eval fh_func) :comments org :exports none
@ -1641,6 +1641,21 @@ qmckl_exit_code qmckl_woodbury_2x2 (
double* determinant ); double* determinant );
#+end_src #+end_src
#+CALL: generate_c_header(table=qmckl_woodbury_2x2_args,rettyp=get_value("CRetType"),fname="qmckl_woodbury_2x2_hpc")
#+RESULTS:
#+begin_src c :tangle (eval h_func) :comments org
qmckl_exit_code qmckl_woodbury_2x2_hpc (
const qmckl_context context,
const uint64_t LDS,
const uint64_t Dim,
const double* Updates,
const uint64_t* Updates_index,
const double breakdown,
double* Slater_inv,
double* determinant );
#+end_src
#+CALL: generate_c_header(table=qmckl_woodbury_2x2_args,rettyp=get_value("CRetType"),fname="qmckl_woodbury_2x2_doc") #+CALL: generate_c_header(table=qmckl_woodbury_2x2_args,rettyp=get_value("CRetType"),fname="qmckl_woodbury_2x2_doc")
#+RESULTS: #+RESULTS:
@ -1956,6 +1971,56 @@ interface
end interface end interface
#+end_src #+end_src
#+CALL: generate_f_interface(table=qmckl_woodbury_2x2_args,rettyp=get_value("FRetType"),fname="qmckl_woodbury_2x2_hpc")
#+RESULTS:
#+begin_src f90 :tangle (eval fh_func) :comments org :exports none
interface
integer(c_int32_t) function qmckl_woodbury_2x2_hpc &
(context, LDS, Dim, Updates, Updates_index, breakdown, Slater_inv, determinant) &
bind(C)
use, intrinsic :: iso_c_binding
import
implicit none
integer (c_int64_t) , intent(in) , value :: context
integer (c_int64_t) , intent(in) , value :: LDS
integer (c_int64_t) , intent(in) , value :: Dim
real (c_double ) , intent(in) :: Updates(2*Dim)
integer (c_int64_t) , intent(in) :: Updates_index(2)
real (c_double ) , intent(in) , value :: breakdown
real (c_double ) , intent(inout) :: Slater_inv(LDS*Dim)
real (c_double ) , intent(inout) :: determinant
end function qmckl_woodbury_2x2_hpc
end interface
#+end_src
#+CALL: generate_f_interface(table=qmckl_woodbury_2x2_args,rettyp=get_value("FRetType"),fname="qmckl_woodbury_2x2_doc")
#+RESULTS:
#+begin_src f90 :tangle (eval fh_func) :comments org :exports none
interface
integer(c_int32_t) function qmckl_woodbury_2x2_doc &
(context, LDS, Dim, Updates, Updates_index, breakdown, Slater_inv, determinant) &
bind(C)
use, intrinsic :: iso_c_binding
import
implicit none
integer (c_int64_t) , intent(in) , value :: context
integer (c_int64_t) , intent(in) , value :: LDS
integer (c_int64_t) , intent(in) , value :: Dim
real (c_double ) , intent(in) :: Updates(2*Dim)
integer (c_int64_t) , intent(in) :: Updates_index(2)
real (c_double ) , intent(in) , value :: breakdown
real (c_double ) , intent(inout) :: Slater_inv(LDS*Dim)
real (c_double ) , intent(inout) :: determinant
end function qmckl_woodbury_2x2_doc
end interface
#+end_src
*** Performance *** Performance
This function is most efficient when used in cases where there are only 2 rank-1 updates and This function is most efficient when used in cases where there are only 2 rank-1 updates and
it is sure they will not result in a singular matrix. it is sure they will not result in a singular matrix.
@ -2381,7 +2446,7 @@ interface
end interface end interface
#+end_src #+end_src
#+CALL: generate_f_interface(table=qmckl_sm_splitting_args,rettyp=get_value("FRetType"),fname="qmckl_sm_splitting") #+CALL: generate_f_interface(table=qmckl_sm_splitting_args,rettyp=get_value("FRetType"),fname=get_value("Name"))
#+RESULTS: #+RESULTS:
#+begin_src f90 :tangle (eval fh_func) :comments org :exports none #+begin_src f90 :tangle (eval fh_func) :comments org :exports none