FHCL19 for periodic systems?

qmlcode / qml

QML: Quantum Machine Learning

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FHCL19 for periodic systems? #132

Open sirmarcel opened 4 years ago

sirmarcel commented 4 years ago

Hello!

I have a very quick question: Does the generate_fchl_acsf method, which I think generates the "FCHL19" representation, support periodic boundary conditions? I couldn't find a basis argument, but I thought I'd ask explicitly!

Cheers,

Marcel

andersx commented 4 years ago

Hi Marcel,

Thank you for the interest! Unfortunately, we don't have support for PBC at the moment, but definitely something on our todo-list!

I am not sure when I will have time to implement this, but I'll keep this issue open so you'll be notified when that happens.

Best, Anders

sirmarcel commented 4 years ago

Thanks Anders! I'll keep an eye on this. :)