Generating G5 using Simple-NN

MDIL-SNU / SIMPLE-NN

SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)

GNU General Public License v3.0

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Generating G5 using Simple-NN #96

Closed tanooj-s closed 3 years ago

tanooj-s commented 3 years ago

As far as I can tell when using this package one would just use the G2 and G4 parameters in the SiO2 example and change the file name accordingly. Is it possible to generate the G5 parameters using Simple-NN or is that outside the scope of the intention of this package?