.. _grad:

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Nuclear gradients and related functionalities
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BAGEL supports efficient evaluations of analytical energy gradient and derivative couplings for various quantum chemistry methods. This enables BAGEL to take you on a journey on the potential energy surface of the molecule of interest, such as frequency analysis, geometry optimizations, and direct molecular dynamics (MD) simulations.

.. toctree::
   :maxdepth: 2

   methods.rst
   force.rst
   ../opt/optimize.rst
   dynamics.rst
   hess.rst

