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Hi Irea - sorry for the flow response, somehow this fell to the bottom of my emails. Please start by taking a look at ACE1pack.jl rather than ACE.jl. This is where you will be able to find everything. |
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Hi!
Was interested in using
ACEto generate a structural descriptor, as exemplified in the ACE Descriptors tutorial, but seems like it's broken. It mentions that an update to the pair potential implementation is required, but not sure which implementation this corresponds to?Thanks very much!
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