Inquiry on Uses of Bond_styles

Dear Dr. Axel Kohlmeyer,

Hello Dr. Kohlmeyer. I was curious if I could ask a question regarding the bond_style commands.

Are bond_style commands be only be used to implement interatomic potential between pairwise atoms or can bond_style commands be modeled as a force probe that measures the tension between a chain of atoms.

If bond_style commands can be used to model a force probe that does not affect the interatomic potential or the molecular dynamics of chains of atoms in any way, then I was curious if I could request an advice when modeling this in LAMMPS.

Thank you.


Masato Koizumi

Not 100% clear what you asking. Bond styles in LAMMPS add forces
between pairs of atom, i.e. they become “bonded” by a spring.

If you simply want to monitor the force between pairs of atoms
in a chain of already bonded atoms, you can dump the
current state of the bonds in the chain. See the dump local
command and the associated compute something/bond commands.
This can output the current length/energy/force of any set
of bonds in the system,