Qbics Manual
===============

- In the left panel, you can find a **quick overview** of the main sections of the manual
- Below, you can find a **detailed** table of contents.

.. toctree::
   :maxdepth: 2
   :caption: Program

   begin/compilation
   begin/installation
   begin/commandline
   
.. toctree::
   :maxdepth: 2
   :caption: Input
   
   begin/inpstructure
   begin/inputlibrary

.. toctree::
   :maxdepth: 2
   :caption: Tutorials: Basics
      
   tutorials/dft
   tutorials/semi
   tutorials/charmm
   tutorials/opt   
   tutorials/ai

.. toctree::
   :maxdepth: 2
   :caption: Tutorials: Mechanism

   tutorials/ts
   tutorials/eda

.. toctree::
   :maxdepth: 2
   :caption: Tutorials: MD

   tutorials/md
   tutorials/enhanced_md

.. toctree::
   :maxdepth: 2
   :caption: Tutorials: TSO-DFT, NOSI and MSDFT

   tutorials/tso1
   tutorials/tso2
   tutorials/msdft1
   tutorials/msdft2
   tutorials/msdft3
   tutorials/msdft4
..
   tutorials/qmmm

.. toctree::
   :maxdepth: 2
   :caption: Keywords

   keywords/basis
   keywords/basinfo
   keywords/charmm
   keywords/eda
   keywords/grimmedisp
   keywords/md
   keywords/mecp
   keywords/mol
   keywords/msdft
   keywords/nddo
   keywords/nosi
   keywords/opt
   keywords/output
   keywords/pcm
   keywords/pifep
   keywords/pseudopotential
   keywords/qmmm
   keywords/scf
   keywords/scfguess
   keywords/tddft
   keywords/thermo
   keywords/wfn
   keywords/xtb

.. keywords/sponge,pifep

.. toctree::
   :maxdepth: 2
   :caption: Development
   
   develop/tools
   develop/styles
   develop/logic
   develop/git

.. toctree::
   :maxdepth: 1   
   :caption: Quick Links

   quicklink