Dear LAMMPS users,
How can I observe which formulas did LAMMPS’ providers use in developing a potential ? I want just the " script " and I know they talked about it in manual. But, I want the script or the file for example for Vashishta potential.
Thanks in advance,
Ali
Dear LAMMPS users,
How can I observe which formulas did LAMMPS' providers use in developing a
potential ?
read the source code.
I want just the " script " and I know they talked about it in manual.
where?
But, I want the script or the file for example for Vashishta potential.
you *must* read the paper and then read the source code.
http://lammps.sandia.gov/doc/Section_modify.html explains how most of
the "styles" in LAMMPS were added to the code.
axel.
p.s.: if you want to understand how a potential function is
implemented into an MD code, you should start with reviewing the
lennard-jones or morse potentials.
axel.
Hi Axel,
Thank you for your response. Actually I know that in " http://lammps.sandia.gov/doc/pair_vashishta.html " you explained the formula. But, what I’m saying is that is there any specific file such as pair.h ? I mean, in which file did you enter those formula ?
Regards,
Ali
Hi Axel,
Thank you for your response. Actually I know that in "
http://lammps.sandia.gov/doc/pair_vashishta.html " you explained the
formula. But, what I'm saying is that is there any specific file such as
pair.h ? I mean, in which file did you enter those formula ?
yes, there is and i already pointed you to the section of the manual where
you can learn how to find it.
axel.