mirror of
https://github.com/TREX-CoE/qmckl.git
synced 2024-08-25 06:31:45 +02:00
Bug in J_gl
This commit is contained in:
parent
42222f73a5
commit
6939891ac3
@ -222,7 +222,7 @@ qmckl_context_touch(const qmckl_context context)
|
|||||||
|
|
||||||
qmckl_context_struct* const ctx = (qmckl_context_struct*) context;
|
qmckl_context_struct* const ctx = (qmckl_context_struct*) context;
|
||||||
|
|
||||||
ctx->electron.walker_old = ctx->electron.walker;
|
// ctx->electron.walker_old = ctx->electron.walker;
|
||||||
ctx->date += 1UL;
|
ctx->date += 1UL;
|
||||||
ctx->point.date = ctx-> date;
|
ctx->point.date = ctx-> date;
|
||||||
return QMCKL_SUCCESS;
|
return QMCKL_SUCCESS;
|
||||||
|
@ -564,6 +564,21 @@ qmckl_get_electron_coord (const qmckl_context context,
|
|||||||
}
|
}
|
||||||
|
|
||||||
#+end_src
|
#+end_src
|
||||||
|
|
||||||
|
#+begin_src f90 :comments org :tangle (eval fh_func) :noweb yes
|
||||||
|
interface
|
||||||
|
integer(c_int32_t) function qmckl_get_electron_coord(context, transp, coord, size_max) bind(C)
|
||||||
|
use, intrinsic :: iso_c_binding
|
||||||
|
import
|
||||||
|
implicit none
|
||||||
|
|
||||||
|
integer (c_int64_t) , intent(in) , value :: context
|
||||||
|
character(c_char) , intent(in) , value :: transp
|
||||||
|
real(c_double) , intent(in) :: coord(*)
|
||||||
|
integer (c_int64_t) , intent(in) , value :: size_max
|
||||||
|
end function
|
||||||
|
end interface
|
||||||
|
#+end_src
|
||||||
** Test
|
** Test
|
||||||
|
|
||||||
#+begin_src python :results output :exports none
|
#+begin_src python :results output :exports none
|
||||||
|
@ -2674,7 +2674,7 @@ qmckl_exit_code qmckl_provide_jastrow_champ_factor_ee_gl(qmckl_context context)
|
|||||||
return rc;
|
return rc;
|
||||||
}
|
}
|
||||||
|
|
||||||
ctx->jastrow_champ.factor_ee_date = ctx->date;
|
ctx->jastrow_champ.factor_ee_gl_date = ctx->date;
|
||||||
}
|
}
|
||||||
|
|
||||||
return QMCKL_SUCCESS;
|
return QMCKL_SUCCESS;
|
||||||
|
Loading…
Reference in New Issue
Block a user