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Include lib.org

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This commit is contained in:
Anthony Scemama 2021-04-09 11:26:04 +02:00
parent 7397dac788
commit ff8330f8f9
7 changed files with 61 additions and 85 deletions
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6
src/qmckl_ao.org
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@ -1,5 +1,6 @@
#+TITLE: Atomic Orbitals
#+SETUPFILE: ../docs/theme.setup
#+INCLUDE: ../tools/lib.org
The atomic basis set is defined as a list of shells. Each shell $s$ is
centered on a nucleus $A$, possesses a given angular momentum $l$ and a
@ -34,11 +35,6 @@ gradients and Laplacian of the atomic basis functions.
* Headers :noexport:
#+NAME: filename
#+begin_src elisp :tangle no
(file-name-nondirectory (substring buffer-file-name 0 -4))
#+end_src
#+begin_src c :tangle (eval h_private_type)
#ifndef QMCKL_AO_HPT
#define QMCKL_AO_HPT

7
src/qmckl_context.org
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@ -1,14 +1,9 @@
#+TITLE: Context
#+SETUPFILE: ../docs/theme.setup
#+INCLUDE: ../tools/lib.org
* Headers :noexport:
#+NAME: filename
#+begin_src elisp tangle: no
(file-name-nondirectory (substring buffer-file-name 0 -4))
#+end_src
#+begin_src c :tangle (eval c_test) :noweb yes
#include "qmckl.h"
#include "munit.h"

11
src/qmckl_distance.org
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@ -1,20 +1,11 @@
#+TITLE: Inter-particle distances
#+SETUPFILE: ../docs/theme.setup
#+INCLUDE: ../tools/lib.org
Functions for the computation of distances between particles.
* Headers :noexport:
#+NAME: filename
#+begin_src elisp tangle: no
(file-name-nondirectory (substring buffer-file-name 0 -4))
#+end_src
#+begin_src elisp :noexport :results none
(org-babel-lob-ingest "../tools/lib.org")
#+end_src
#+begin_src c :comments link :tangle (eval c_test) :noweb yes
#include "qmckl.h"
#include "munit.h"

6
src/qmckl_error.org
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@ -1,13 +1,9 @@
#+TITLE: Error handling
#+SETUPFILE: ../docs/theme.setup
#+INCLUDE: ../tools/lib.org
* Headers :noexport:
#+NAME: filename
#+begin_src elisp tangle: no
(file-name-nondirectory (substring buffer-file-name 0 -4))
#+end_src
#+begin_src c :tangle (eval h_private_type)
#ifndef QMCKL_ERROR_HPT
#define QMCKL_ERROR_HPT

6
src/qmckl_memory.org
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@ -1,5 +1,6 @@
#+TITLE: Memory management
#+SETUPFILE: ../docs/theme.setup
#+INCLUDE: ../tools/lib.org
We override the allocation functions to enable the possibility of
optimized libraries to fine-tune the memory allocation.
@ -7,11 +8,6 @@ optimized libraries to fine-tune the memory allocation.
* Headers :noexport:
#+NAME: filename
#+begin_src elisp tangle: no
(file-name-nondirectory (substring buffer-file-name 0 -4))
#+end_src
#+begin_src c :tangle (eval c)
#include <stdint.h>
#include <stdlib.h>

7
src/qmckl_numprec.org
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@ -1,14 +1,9 @@
#+TITLE: Numerical precision
#+SETUPFILE: ../docs/theme.setup
#+INCLUDE: ../tools/lib.org
* Headers :noexport:
#+NAME: filename
#+begin_src elisp tangle: no
(file-name-nondirectory (substring buffer-file-name 0 -4))
#+end_src
#+begin_src c :tangle (eval c_test) :noweb yes
#include "qmckl.h"
#include "munit.h"

23
tools/lib.org
View File

@ -1,6 +1,14 @@
# -*- mode: org -*-
* Function to get the value of a property.
* Library of org-mode functions :noexport:
** Defines the name of the current file
#+NAME: filename
#+begin_src elisp :tangle no
(file-name-nondirectory (substring buffer-file-name 0 -4))
#+end_src
** Function to get the value of a property.
#+NAME: get_value
#+begin_src elisp :var key="Type"
(setq x (org-property-values key))
@ -9,7 +17,7 @@
#+RESULTS: get_value
* Table of function arguments
** Table of function arguments
#+NAME: test
| qmckl_context | context | in | Global state |
@ -25,7 +33,7 @@
| int64_t | ldc | in | Leading dimension of array ~C~ |
** Fortran-C type conversions
*** Fortran-C type conversions
#+NAME:f_of_c
#+BEGIN_SRC python :var table=test :var rettyp="integer" :var fname=[] :results value :noweb yes :wrap "src f90 :tangle (eval f) :comments org :exports none"
@ -53,7 +61,7 @@ ctypeid_d = { '' : ''
}
#+END_SRC
** Parse the table
*** Parse the table
#+NAME: parse_table
#+BEGIN_SRC python :results none :noweb yes :exports none
@ -88,7 +96,7 @@ def parse_table(table):
return result
#+END_SRC
** Generates a C header
*** Generates a C header
#+NAME: generate_c_header
#+BEGIN_SRC python :var table=[] :var rettyp=[] :var fname=[] :results drawer :noweb yes :wrap "src c :tangle (eval h_func) :comments org"
@ -124,7 +132,7 @@ return template
);
#+end_src
** Generates a C interface to the Fortran function
*** Generates a C interface to the Fortran function
#+NAME: generate_c_interface
#+BEGIN_SRC python :var table=[] :var rettyp="integer" :var fname=[] :results value :noweb yes :wrap "src f90 :tangle (eval f) :comments org :exports none"
@ -178,8 +186,7 @@ results='\n'.join(results)
return results
#+END_SRC
** Generates a Fortran interface to the C function
*** Generates a Fortran interface to the C function
#+NAME: generate_f_interface
#+BEGIN_SRC python :var table=test :var rettyp="integer" :var fname=[] :results value :noweb yes :wrap "src f90 :tangle (eval fh) :comments org :exports none"