mirror of
https://gitlab.com/scemama/QCaml.git
synced 2024-07-17 08:30:22 +02:00
36 lines
820 B
Org Mode
36 lines
820 B
Org Mode
#+TITLE: QCaml documentation
|
|
#+SETUPFILE: ../docs/theme.setup
|
|
|
|
#+ATTR_HTML: :width 400px
|
|
[[./chamo_bg.png]]
|
|
|
|
QCaml is an OCaml library for writing quantum chemistry codes.
|
|
It is written using literate programming with org-mode.
|
|
|
|
To use it interactively in the top level or in a Jupyter or org-mode
|
|
notebook, use
|
|
|
|
#+begin_src ocaml
|
|
#require "qcaml.top" ;;
|
|
#+end_src
|
|
|
|
This loads all the sub-libraries provided with QCaml, and installs
|
|
the pretty printers. *List of modules*
|
|
|
|
#+NAME: modules
|
|
#+begin_src sh :exports none
|
|
ls ../*/README.org \
|
|
| cut -d '/' -f 2
|
|
#+end_src
|
|
|
|
#+NAME: list
|
|
#+begin_src python :var modules=modules :exports results :results output drawer
|
|
for m in modules:
|
|
m = m[0]
|
|
m2 = m.replace("_"," ").capitalize()
|
|
print(f"- [[./{m}.html][{m2}]]")
|
|
#+end_src
|