Adapt cpp representation input paramaters compatible with the current lammps-rascal interface #414
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* cpp representation and kernel information is now included in rascal's model json file. * weights are now always flattened to one dimension for consistency in the models format.
PicoCentauri
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Jun 15, 2022
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PicoCentauri
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LGTM! Thanks @agoscinski
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This is a PR from this commit.
2a879b7
To use the current lammps-rascal interface conveniently, we however don't take the newest format version #376 which is cleaner, but the older version compatible with the branch
feat/lammps_preparationswhich is used for the current version of the lammps-rascal interface.EDIT:
This is so people do not need to have to install a librascal version just to format the ML model json correctly compatible with lammps-rascal