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TODO
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!!!!!!!!!! ENLEVER CETTE SALOPERIE DE TRUC DANS VI !!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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# qp_module
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# qp_plugins
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* Mettre le fichier LIB
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@ -7,8 +6,7 @@
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* Creer une page web pas trop degueu et la mettre ici : http://lcpq.github.io/quantum_package
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* Pour les README.rst des modules, mettre un deuxième saut à la ligne pour la doc en ligne.
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* prendre des bouts du src/README.rst et en mettre partout
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* Changer irpf90 pour creer de la doc en format rst
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# Exterieur
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@ -20,27 +18,21 @@
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# Tests:
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* >1000 dets
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* Davidson
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* Lapack
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* Extrapolation
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* DFT
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# User doc:
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* qp_create_ezfio_from_xyz
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* qp_set_frozen_core
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* qp_set_mo_class
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* qp_edit
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* qp_convert
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* Renvoyer a la doc des modules : c'est pour les programmeurs au depart!
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* Mettre le mp2 comme exercice
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* Interfaces : molden/fcidump
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* Natural orbitals
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* Excited states
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* Parameters for Hartree-Fock
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* Parameters for Davidson
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* Running in parallel
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* Parameters for selection (Generators/selectors)
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* Parameters for selection (Generators)
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# Programmers doc:
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@ -53,3 +45,5 @@
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/home/scemama/quantum_package/docs/source/modules/perturbation.rst:216: WARNING
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: script pour mettre des :math: dans les commentaires
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# Selection stochastique
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@ -12,6 +12,10 @@ document, where each section corresponds to the corresponding |qp| module.
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The content of the file can be modified to change the input parameters. When
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the text editor is closed, the updated data is saved into the |EZFIO| directory.
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.. note::
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The text editor which will be opened is defined by the :envvar:`EDITOR`
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environment variable.
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.. warning::
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When the wave function is too large (more than 10 000 determinants), the
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determinants are not displayed.
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