Hello,
Can I measure the inter atomic distances and forces between two atoms for a group.
Thanks
Hello,
Can I measure the inter atomic distances and forces between two atoms for a group.
Thanks
Navin,
Yes, you can. See the documentation on dumping these quantities here:
http://lammps.sandia.gov/doc/dump.html
Paul
If you mean output the current distance between 2 particular
atoms, you could write a formula for that as an equal-style
variable (see variable doc page) and output it with thermodynamic
info. If you want the force between those 2 atoms due
to their pair interaction, you'd need to post-process if from their
coords, or write a compute yourself that calls the pair->single() function
for the 2 atoms.
Steve