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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
59 lines
1.0 KiB
ReStructuredText
59 lines
1.0 KiB
ReStructuredText
.. Quantum Package documentation master file, created by
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sphinx-quickstart on Thu Oct 18 11:53:23 2018.
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You can adapt this file completely to your liking, but it should at least
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contain the root `toctree` directive.
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.. include:: intro/intro.rst
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.. toctree::
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:maxdepth: 1
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:caption: Introduction
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:hidden:
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intro/install
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intro/selected_ci
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.. toctree::
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:maxdepth: 1
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:caption: User's guide
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:glob:
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:hidden:
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users_guide/quickstart
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users_guide/interfaces
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users_guide/excited_states
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users_guide/natural_orbitals
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users_guide/printing
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users_guide/plugins
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users_guide/qp_plugins
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users_guide/index
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.. toctree::
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:maxdepth: 1
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:caption: Programmer's guide
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:hidden:
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programmers_guide/programming
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programmers_guide/ezfio
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programmers_guide/plugins
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programmers_guide/new_ks
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programmers_guide/index
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programmers_guide/plugins
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.. toctree::
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:maxdepth: 1
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:caption: Appendix
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:hidden:
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appendix/benchmarks
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appendix/research
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appendix/license
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appendix/contributors
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