qmckl/src/qmckl.org

** =qmckl.h= 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>
#include <math.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