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DOC: Removed superfluous dot
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pastewka committed Jan 22, 2024
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Expand Up @@ -160,7 +160,7 @@ The module `matscipy.numerical` additionally provides routines for the numerical

- **Quantum mechanics/molecular mechanics.** The module `matscipy.calculators.mcfm` implements a generalised force-mixing potential [@Bernstein2009] with support for multiple concurrent QM clusters, named MultiClusterForceMixing (MCFM). It has been applied to model failure of graphene-nanotube composites [@Golebiowski2018;@Golebiowski2020].

- **Committee models.**. The module `matscipy.calculators.committee` provides support for committees of interatomic potentials with the same functional form but differing parameters, in order to allow the effect of the uncertainty in parameters on model predictions to be estimated. This is typically used with machine learning interatomic potentials (MLIPs). The implementation follows the approach of [@Musil2019] where the ensemble of models is generated by training models on different subsets of a common overall training database.
- **Committee models.** The module `matscipy.calculators.committee` provides support for committees of interatomic potentials with the same functional form but differing parameters, in order to allow the effect of the uncertainty in parameters on model predictions to be estimated. This is typically used with machine learning interatomic potentials (MLIPs). The implementation follows the approach of [@Musil2019] where the ensemble of models is generated by training models on different subsets of a common overall training database.

# Acknowledgements

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