mirror of
https://github.com/TREX-CoE/qmckl.git
synced 2024-08-17 02:41:43 +02:00
Added missing Fortran interfaces
This commit is contained in:
parent
f005f587e7
commit
04ed140e85
@ -1848,6 +1848,20 @@ qmckl_exit_code qmckl_get_ao_basis_shell_vgl(qmckl_context context, double* cons
|
||||
}
|
||||
#+end_src
|
||||
|
||||
#+begin_src f90 :tangle (eval fh_func) :comments org :exports none
|
||||
interface
|
||||
integer(c_int32_t) function qmckl_get_ao_basis_shell_vgl (context, shell_vgl) &
|
||||
bind(C)
|
||||
use, intrinsic :: iso_c_binding
|
||||
import
|
||||
implicit none
|
||||
|
||||
integer (c_int64_t) , intent(in) , value :: context
|
||||
double precision, intent(out) :: shell_vgl(*)
|
||||
end function
|
||||
end interface
|
||||
#+end_src
|
||||
|
||||
*** Provide
|
||||
|
||||
#+begin_src c :comments org :tangle (eval h_private_func) :noweb yes :exports none
|
||||
|
@ -608,6 +608,30 @@ qmckl_set_electron_rescale_factor_en(qmckl_context context,
|
||||
|
||||
return QMCKL_SUCCESS;
|
||||
}
|
||||
#+end_src
|
||||
|
||||
#+begin_src f90 :comments org :tangle (eval fh_func) :noweb yes
|
||||
interface
|
||||
integer(c_int32_t) function qmckl_set_electron_num(context, alpha, beta) 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 :: alpha
|
||||
integer (c_int64_t) , intent(in) , value :: beta
|
||||
end function
|
||||
end interface
|
||||
interface
|
||||
integer(c_int32_t) function qmckl_set_electron_walk_num(context, walk_num) 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 :: walk_num
|
||||
end function
|
||||
end interface
|
||||
#+end_src
|
||||
|
||||
The following function sets the electron coordinates of all the
|
||||
@ -697,6 +721,20 @@ qmckl_set_electron_coord(qmckl_context context, const char transp, const double*
|
||||
}
|
||||
#+end_src
|
||||
|
||||
#+begin_src f90 :comments org :tangle (eval fh_func) :noweb yes
|
||||
interface
|
||||
integer(c_int32_t) function qmckl_set_electron_coord(context, transp, coord) bind(C)
|
||||
use, intrinsic :: iso_c_binding
|
||||
import
|
||||
implicit none
|
||||
|
||||
integer (c_int64_t) , intent(in) , value :: context
|
||||
character , intent(in) , value :: transp
|
||||
double precision , intent(in) :: coord(*)
|
||||
end function
|
||||
end interface
|
||||
#+end_src
|
||||
|
||||
** Test
|
||||
|
||||
#+begin_src python :results output :exports none
|
||||
|
Loading…
Reference in New Issue
Block a user