Dear All,
A couple of months ago, there was a discussion on Ewald for a triclinic box.
I would appreciate to hear any updates on this. I am currently using the 22-Aug-07 version of LAMMPS.
Thanks,
Regards,
Bala
http://www.jncasr.ac.in/bala
Dear All,
A couple of months ago, there was a discussion on Ewald for a triclinic box.
I would appreciate to hear any updates on this. I am currently using the 22-Aug-07 version of LAMMPS.
Thanks,
Regards,
Bala
http://www.jncasr.ac.in/bala
Nothing further has been done. Pieter in' t Veld may read this and respond.
He has a version of Ewald that works with triclinic, but it's not in
the code base.
Steve
All,
My Ewald/n implementation is written for the June 2006 version, which was also the version I first implemented triclinic for. I have not yet ported Ewald/n to the new version since we have not had any immediate use for it yet. Ewald/n is designed to do r^-1 (coulombic), r^-3 (dipole), and r^-6 (dispersion) long range summations and comes with lj/coul and lj/dipole as new pair_style options.
Pieter