mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-21 19:13:29 +01:00
49e9488f62
* fixed laplacian of aos * corrected the laplacians of aos * added dft_one_e * added new feature for new dft functionals * changed the configure to add new functionals * changed the configure * added dft_one_e/README.rst * added README.rst in new_functionals * added source/programmers_guide/new_ks.rst * Thesis Yann * Added gmp installation in configure * improved qp_e_conv_fci * Doc * Typos * Added variance_max * Fixed completion in qp_create * modif TODO * fixed DFT potential for n_states gt 1 * improved pot pbe * trying to improve sr PBE * fixed potential pbe * fixed the vxc smashed for pbe sr and normal * Comments in selection * bug fixed by peter * Fixed bug with zero beta electrons * Update README.rst * Update e_xc_new_func.irp.f * Update links.rst * Update quickstart.rst * Update quickstart.rst * updated cipsi * Fixed energies of non-expected s2 (#9) * Moved diag_algorithm in Davdison
25 lines
999 B
Plaintext
25 lines
999 B
Plaintext
* To reference the QP program prog, use :ref:`.prog.`
|
|
|
|
* See docs/source/_static/links.rst file for many useful macros
|
|
* option provider :option:`name_of_module provider`
|
|
* subroutine :c:func:`my_subroutine`
|
|
* module :ref:`module`
|
|
* provider :c:data:`my_provider`
|
|
* qp_command :ref:`qp_command`
|
|
* linux command :command:`qp_command`
|
|
* linux command with option :command:`qp_command -o`
|
|
* environment variable :envvar:`VARIABLE`
|
|
* file :file:`filename`
|
|
* for a file to be referenced, type
|
|
.. _myref:
|
|
in the head of the file.
|
|
(see https://www.sphinx-doc.org/en/1.7/markup/inline.html)
|
|
Then, to reference for "myref" just type :ref:`myref`
|
|
* roles like warning, note, etc : see http://www.sphinx-doc.org/en/1.6/markup/para.html
|
|
* URL : `<https://gitlab.com/eginer/qp_plugins_eginer>`_
|
|
or use `IRPF90`_ and define
|
|
_IRPF90: http://irpf90.ups-tlse.fr
|
|
somewhere
|
|
* References of published results with QP should be added into docs/source/research.bib in bibtex
|
|
format
|