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[lammps-users] Reading Energy in Custom Pair Function
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[lammps-users] Reading Energy in Custom Pair Function


From: S M <smatrix_2012@...8...>
Date: Sat, 17 Jun 2017 00:36:09 +0000

Hi,

I am writing a custom pair potential, where I first need to read the energy of every particle before the custom pair potential is applied, and then apply the custom pair potential to certain particles based on their energy readings.

I am guessing that I need to use the "pair->vdW" command.

Can anybody suggest a definite strategy in terms of writing necessary codes?

S