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## Miniff
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Miniff is a minimal implementation of neural-network force fields that facilitates computing energies and forces of atomic systems with neural networks.
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Miniff implements [Behler and Parrinello](https://doi.org/10.1103/PhysRevLett.98.146401) approach to simulating structures and dynamics of atomic systems. You may want to use it if:
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- you are interested in structural properties of a system with many atoms such as a molecule or an amorphous material;
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- your system is too large for electronic structure treatment (e.g. density functional theory molecular dynamics);
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- no empiric potentials for your system exist...
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- ... or the existing empiric potentials are not sufficient to reach the desired tolerances in energies and forces;
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- you are interested in machine learning techniques for materials science problems and are looking for a good starting point for your research.
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This Wiki serves the purpose of a reference manual to the maintainer(s) of miniff. It provides the following information.
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* Implementation and configuration details of certain aspects of the repository such as the documentation setup, versioning, packaging, CI and dependency management.
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* Software development and maintenance workflow for miniff. |
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