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Interaction layer specific settings #92

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LarsSchaaf
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This commit allows for the cutoff and correlation order to be different for different message passing layers.

correlation and r_max now accepts a list of length num_interactions.

eg.

--num_interactions=3
--correlation="[3,3,1]"
--r_max="[7.0,3.0,7.0]"

@ilyes319
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@LarsSchaaf What do you think is needed for the clean up before merging this?

@davkovacs
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Should we implement as part of tis PR the central atom dependent cutoff?

@ilyes319
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yes that's a good place

@davkovacs
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We were discussing the implementation of layer specific number of channels.

Would this be a good place to put it? Is this PR planned to be merged in the near future?

@ilyes319
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yes it is a good place for a fork to develop that

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4 participants