qmckl/src/qmckl.org

* QMCKL header file

This file produces the =qmckl.h= header file, which is to be included
when qmckl functions are used.

We also create here the =qmckl_f.f90= which is the Fortran interface file.

** Top of header files                                             :noexport:
  
   #+BEGIN_SRC C :tangle qmckl.h
#ifndef QMCKL_H
#define QMCKL_H
#include <stdlib.h>
#include <stdint.h>
   #+END_SRC

   #+BEGIN_SRC f90 :tangle qmckl_f.f90
module qmckl
  use, intrinsic :: iso_c_binding
   #+END_SRC

   The bottoms of the files are located in the [[qmckl_footer.org]] file.
   
** Constants

*** Success/failure

    These are the codes returned by the functions to indicate success
    or failure. All such functions should have as a return type =qmckl_exit_code=.

     #+BEGIN_SRC C :comments org :tangle qmckl.h
#define QMCKL_SUCCESS 0
#define QMCKL_FAILURE 1

typedef int32_t qmckl_exit_code;
typedef int64_t qmckl_context ;

     #+END_SRC

 #+BEGIN_SRC f90 :comments org :tangle qmckl_f.f90
integer, parameter :: QMCKL_SUCCESS = 0
integer, parameter :: QMCKL_FAILURE = 0
 #+END_SRC

*** Precision-related constants

    Controlling numerical precision enables optimizations. Here, the
    default parameters determining the target numerical precision and
    range are defined.

     #+BEGIN_SRC C :comments org :tangle qmckl.h
#define QMCKL_DEFAULT_PRECISION 53
#define QMCKL_DEFAULT_RANGE     11
     #+END_SRC

 #+BEGIN_SRC f90 :comments org :tangle qmckl_f.f90
integer, parameter :: QMCKL_DEFAULT_PRECISION = 53
integer, parameter :: QMCKL_DEFAULT_RANGE = 11
 #+END_SRC
 

 # -*- mode: org -*-
 # vim: syntax=c