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Rework data.transform.scaler.standard to hopefully now fix all errors with the scalers.
BREAKING CHANGES: Refactored activation functions kgcnn.ops.activ and layers kgcnn.layers.activ that have trainable parameters, due to keras changes in 2.13.0.
Please check your config, since parameters are ignored in normal functions!
If for example "kgcnn>leaky_relu" you can not change the leak anymore. You must use a kgcnn.layers.activ for that.
Rework kgcnn.graph.methods.range_neighbour_lattice to use pymatgen.
Added PolynomialDecayScheduler
Added option for force model to use normal gradient and added as option use_batch_jacobian .
BREAKING CHANGES: Reworked kgcnn.layers.gather to reduce/simplify code and speed up some models.
The behaviour of GatherNodes has changed a little in that it first splits and then concatenates. The default parameters now have split_axis and concat_axis set to 2. concat_indices has been removed.
The default behaviour of the layer however stays the same.
An error in layer FracToRealCoordinates has been fixed and improved speed.