diff --git a/configs/example.yaml b/configs/example.yaml index 1d92882d..d98cc52e 100644 --- a/configs/example.yaml +++ b/configs/example.yaml @@ -14,7 +14,7 @@ default_dtype: float32 # network r_max: 4.0 # cutoff radius in length units, here Angstrom, this is an important hyperparamter to scan num_layers: 4 # number of interaction blocks, we find 3-5 to work best -l_max: 1 # the maximum irrep order (rotation order) for the network's features, l=1 is a good default, l=2 is more accurate but slower +l_max: 2 # the maximum irrep order (rotation order) for the network's features, l=2 is accurate but slower, l=1 if you want to be faster but less accurte parity: true # whether to include features with odd mirror parity; often turning parity off gives equally good results but faster networks, so do consider this num_features: 32 # the multiplicity of the features, 32 is a good default for accurate network, if you want to be more accurate, go larger, if you want to be faster, go lower nonlinearity_type: gate # may be 'gate' or 'norm', 'gate' is recommended