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Re: [lammps-users] pcff force field
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Re: [lammps-users] pcff force field


From: Ray Shan <rshan@...1795...>
Date: Wed, 23 Aug 2017 16:42:52 +0000

Like anyother valence force fields, pcff is invoked via a combination of pair, bond, angle, dihedral, and improper styles.  Pcff belongs to the class2 family, so check the doc page with anything that is “class2”.

 

Ray

 

 

From: Rajesh <creativeidleminds@...24...>
Date: Wednesday, August 23, 2017 at 9:37 AM
To: LAMMPS Users Mailing List <lammps-users@lists.sourceforge.net>
Subject: Re: [lammps-users] pcff force field

 

Dear lammps users

 

I am trying to simulate a polymer in lammps with pcff. Is there any option for pcff field in lammps? How can I achieve this? I didn't find anything in manual on pcff. Any help will be appreciated. I found some file pcff.frc in lammps folder. I think pcff in not included a pair_style in lammps?

 

Thanks 

 

Rajesh