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[lammps-users] pair style for neural network potential
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[lammps-users] pair style for neural network potential


From: JW Yoon <jw.yoon@...8...>
Date: Tue, 15 May 2018 00:01:02 +0000

Hello there,


Was just wondering if there's any effort going into implementing a pair style for neural network potentials.


Also, if one were to do that, would it be better to do it directly as a pair style for lammps or through KIM api from a computational efficiency standpoint?


Regards,


Jay