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compute_asymp_jasb started.

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v1j4y 2022-01-27 16:35:39 +01:00
parent 402fe7c9c8
commit e8a7b1a3f6
1 changed files with 16 additions and 28 deletions
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org/qmckl_jastrow.org
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@ -13,7 +13,6 @@ these factors along with their derivatives.
(org-babel-lob-ingest "../tools/lib.org") (org-babel-lob-ingest "../tools/lib.org")
#+end_src #+end_src
#+begin_src c :tangle (eval h_private_func) #+begin_src c :tangle (eval h_private_func)
#ifndef QMCKL_JASTROW_HPF #ifndef QMCKL_JASTROW_HPF
#define QMCKL_JASTROW_HPF #define QMCKL_JASTROW_HPF
@ -1328,48 +1327,37 @@ integer function qmckl_compute_asymp_jasb_f(context, bord_num, bord_vector, resc
x = x * kappa_inv x = x * kappa_inv
asymp_jasb(i) = asymp_jasb(i) + bord_vector(p + 1) * x asymp_jasb(i) = asymp_jasb(i) + bord_vector(p + 1) * x
end do end do
end do
end function qmckl_compute_asymp_jasb_f end function qmckl_compute_asymp_jasb_f
#+end_src #+end_src
#+begin_src c :tangle (eval c)
qmckl_exit_code qmckl_compute_asymp_jasb (
const qmckl_context context,
const int64_t bord_num,
const double* bord_vector,
const double rescale_factor_kappa_ee,
double* const asymp_jasb ) {
// Put some code here
return QMCKL_SUCCESS;
} // end function qmckl_exit_code
#+end_src
#+CALL: generate_c_header(table=qmckl_asymp_jasb_args,rettyp=get_value("CRetType"),fname=get_value("Name")) #+CALL: generate_c_header(table=qmckl_asymp_jasb_args,rettyp=get_value("CRetType"),fname=get_value("Name"))
#+RESULTS: #+RESULTS:
#+BEGIN_src c :tangle (eval h_func) :comments org #+begin_src c :tangle (eval h_func) :comments org
qmckl_exit_code qmckl_compute_asymp_jasb ( qmckl_exit_code qmckl_compute_asymp_jasb (
const qmckl_context context, const qmckl_context context,
const int64_t bord_num, const int64_t bord_num,
const double* bord_vector, const double* bord_vector,
const double rescale_factor_kappa_ee, const double rescale_factor_kappa_ee,
double* const asymp_jasb ); double* const asymp_jasb );
#+END_src #+end_src
#+CALL: generate_c_interface(table=qmckl_asymp_jasb_args,rettyp=get_value("CRetType"),fname=get_value("Name"))
#+RESULTS:
#+BEGIN_src f90 :tangle (eval f) :comments org :exports none
integer(c_int32_t) function qmckl_compute_asymp_jasb &
(context, bord_num, bord_vector, rescale_factor_kappa_ee, asymp_jasb) &
bind(C) result(info)
use, intrinsic :: iso_c_binding
implicit none
integer (c_int64_t) , intent(in) , value :: context
integer (c_int64_t) , intent(in) , value :: bord_num
real (c_double ) , intent(in) :: bord_vector(bord_num + 1)
real (c_double ) , intent(in) , value :: rescale_factor_kappa_ee
real (c_double ) , intent(out) :: asymp_jasb(2)
integer(c_int32_t), external :: qmckl_compute_asymp_jasb_f
info = qmckl_compute_asymp_jasb_f &
(context, bord_num, bord_vector, rescale_factor_kappa_ee, asymp_jasb)
end function qmckl_compute_asymp_jasb
#+END_src
*** Test *** Test
#+name: asymp_jasb #+name: asymp_jasb
#+begin_src python :results output :exports none :noweb yes #+begin_src python :results output :exports none :noweb yes