librascal
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Build examples to enable people to train potentials sans n2p2 and use all the "rascal goodies"
Could include recreating previously trained potentials with rascal
Right now we're thinking of three notebooks:
- [ ] Update and document
MLIP_example.ipynb
(see #314 ) - [ ] Running with i-PI (and eventually LAMMPS)
- [ ] Optimizing a potential for speed (e.g. feature sparsification, radial splining and contraction)