kliff.transforms.configuration_transforms.default_hyperparams¶
- kliff.transforms.configuration_transforms.default_hyperparams.symmetry_functions_set51()[source]¶
Hyperparameters for symmetry functions, as discussed in: Nongnuch Artrith and Jorg Behler. “High-dimensional neural network potentials for metal surfaces: A prototype study for copper.” Physical Review B 85, no. 4 (2012): 045439.
- Return type:
Dict
- kliff.transforms.configuration_transforms.default_hyperparams.symmetry_functions_set30()[source]¶
Hyperparameters for symmetry functions, as discussed in: Artrith, N., Hiller, B. and Behler, J., 2013. Neural network potentials for metals and oxides–First applications to copper clusters at zinc oxide. physica status solidi (b), 250(6), pp.1191-1203.
- Return type:
Dict