Renamed deriv_e in to gl

org/qmckl_distance.org

@@ -1167,14 +1167,14 @@ end function qmckl_distance_rescaled_f
 *** Test                                                           :noexport:
 * Rescaled Distance Derivatives
 
-** ~qmckl_distance_rescaled_deriv_e~
+** ~qmckl_distance_rescaled_gl~
    :PROPERTIES:
-   :Name:     qmckl_distance_rescaled_deriv_e
+   :Name:     qmckl_distance_rescaled_gl
    :CRetType: qmckl_exit_code
    :FRetType: qmckl_exit_code
    :END:
 
- ~qmckl_distance_rescaled_deriv_e~ computes the matrix of the gradient and laplacian of the
+ ~qmckl_distance_rescaled_gl~ computes the matrix of the gradient and laplacian of the
    rescaled distance with respect to the electron coordinates. The derivative is a rank 3 tensor.
    The first dimension has a dimension of 4 of which the first three coordinates
    contains the gradient vector and the last index is the laplacian.
@@ -1217,7 +1217,7 @@ end function qmckl_distance_rescaled_f
    If the input array is normal (~'N'~), the xyz coordinates are in
    the leading dimension: ~[n][3]~ in C and ~(3,n)~ in Fortran.
 
-   #+NAME: qmckl_distance_rescaled_deriv_e_args
+   #+NAME: qmckl_distance_rescaled_gl_args
    | Variable               | Type                | In/Out | Description                                           |
    |------------------------+---------------------+--------+-------------------------------------------------------|
    | ~context~              | ~qmckl_context~     | in     | Global state                                          |
@@ -1247,11 +1247,11 @@ end function qmckl_distance_rescaled_f
     - ~B~ is allocated with at least $3 \times n \times 8$ bytes
     - ~C~ is allocated with at least $4 \times m \times n \times 8$ bytes
       
-    #+CALL: generate_c_header(table=qmckl_distance_rescaled_deriv_e_args,rettyp=get_value("CRetType"),fname=get_value("Name"))
+    #+CALL: generate_c_header(table=qmckl_distance_rescaled_gl_args,rettyp=get_value("CRetType"),fname=get_value("Name"))
 
     #+RESULTS:
     #+begin_src c :tangle (eval h_func) :comments org
-    qmckl_exit_code qmckl_distance_rescaled_deriv_e (
+    qmckl_exit_code qmckl_distance_rescaled_gl (
           const qmckl_context context,
           const char transa,
           const char transb,
@@ -1267,7 +1267,7 @@ end function qmckl_distance_rescaled_f
     #+end_src
 
     #+begin_src f90 :tangle (eval f)
-integer function qmckl_distance_rescaled_deriv_e_f(context, transa, transb, m, n, &
+integer function qmckl_distance_rescaled_gl_f(context, transa, transb, m, n, &
      A, LDA, B, LDB, C, LDC, rescale_factor_kappa) &
      result(info)
   use qmckl
@@ -1449,16 +1449,16 @@ integer function qmckl_distance_rescaled_deriv_e_f(context, transa, transb, m, n
 
   end select
 
-end function qmckl_distance_rescaled_deriv_e_f
+end function qmckl_distance_rescaled_gl_f
     #+end_src
 
     This function is more efficient when ~A~ and ~B~ are transposed.
     
-    #+CALL: generate_c_interface(table=qmckl_distance_rescaled_deriv_e_args,fname=get_value("Name"))
+    #+CALL: generate_c_interface(table=qmckl_distance_rescaled_gl_args,fname=get_value("Name"))
 
    #+RESULTS:
    #+begin_src f90 :tangle (eval f) :comments org :exports none
-   integer(c_int32_t) function qmckl_distance_rescaled_deriv_e &
+   integer(c_int32_t) function qmckl_distance_rescaled_gl &
        (context, transa, transb, m, n, A, lda, B, ldb, C, ldc, rescale_factor_kappa) &
        bind(C) result(info)
 
@@ -1478,19 +1478,19 @@ end function qmckl_distance_rescaled_deriv_e_f
      integer (c_int64_t) , intent(in)  , value :: ldc
      real    (c_double ) , intent(in)  , value :: rescale_factor_kappa
 
-     integer(c_int32_t), external :: qmckl_distance_rescaled_deriv_e_f
+     integer(c_int32_t), external :: qmckl_distance_rescaled_gl_f
-     info = qmckl_distance_rescaled_deriv_e_f &
+     info = qmckl_distance_rescaled_gl_f &
             (context, transa, transb, m, n, A, lda, B, ldb, C, ldc, rescale_factor_kappa)
 
-   end function qmckl_distance_rescaled_deriv_e
+   end function qmckl_distance_rescaled_gl
    #+end_src
 
-   #+CALL: generate_f_interface(table=qmckl_distance_rescaled_deriv_e_args,rettyp=get_value("FRetType"),fname=get_value("Name"))
+   #+CALL: generate_f_interface(table=qmckl_distance_rescaled_gl_args,rettyp=get_value("FRetType"),fname=get_value("Name"))
 
    #+RESULTS:
    #+begin_src f90 :tangle (eval fh_func) :comments org :exports none
    interface
-     integer(c_int32_t) function qmckl_distance_rescaled_deriv_e &
+     integer(c_int32_t) function qmckl_distance_rescaled_gl &
          (context, transa, transb, m, n, A, lda, B, ldb, C, ldc, rescale_factor_kappa) &
          bind(C)
        use, intrinsic :: iso_c_binding
@@ -1510,7 +1510,7 @@ end function qmckl_distance_rescaled_deriv_e_f
        integer (c_int64_t) , intent(in)  , value :: ldc
        real    (c_double ) , intent(in)  , value :: rescale_factor_kappa
 
-     end function qmckl_distance_rescaled_deriv_e
+     end function qmckl_distance_rescaled_gl
    end interface
    #+end_src