mirror of
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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.`
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* See docs/source/_static/links.rst file for many useful macros
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* option provider :option:`name_of_module provider`
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* subroutine :c:func:`my_subroutine`
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* module :ref:`module`
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* provider :c:data:`my_provider`
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* qp_command :ref:`qp_command`
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* linux command :command:`qp_command`
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* linux command with option :command:`qp_command -o`
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* environment variable :envvar:`VARIABLE`
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* file :file:`filename`
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* for a file to be referenced, type
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.. _myref:
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in the head of the file.
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(see https://www.sphinx-doc.org/en/1.7/markup/inline.html)
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Then, to reference for "myref" just type :ref:`myref`
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* roles like warning, note, etc : see http://www.sphinx-doc.org/en/1.6/markup/para.html
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* URL : `<https://gitlab.com/eginer/qp_plugins_eginer>`_
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or use `IRPF90`_ and define
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_IRPF90: http://irpf90.ups-tlse.fr
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somewhere
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* References of published results with QP should be added into docs/source/research.bib in bibtex
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format
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