Add example for constructing flexible water models #109
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Here is the build version of the cookbook in this pull request: documentation.zip, you can view it locally by unzipping |
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This PR adds an example for how to build flexible three/four point water models from scratch and how to export and run them with metatensor atomistic models. The electrostatic is handles using torchpme.
The model it self is quite long and therefore located in a different file. This also makes the usage and download easier in my opinion. All important aspects of construct these water models are discussed in the example
TODO