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[lammps-users] coul/long
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[lammps-users] coul/long

From: Jo <jojo412202@...24...>
Date: Tue, 19 Sep 2017 14:20:45 -0400


I am trying to analytically match the potential of pair style coul/long in lammps.  What is the C constant used in the potential shown in the user manual: E=CQiQj/epsilon*r ?  

For coul/long, is the potential E=(CQiQj/epsilon*r)*(erfc(alpha*r)) for the real space portion of ewald sum?