# Nuclear gradients and related functionalities

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.

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- Nuclear gradient and derivative coupling
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- Molecular geometry optimization
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- Interface to dynamics codes
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- Molecular Hessian and frequency analysis
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