Good day. Im trying to add new potential in Lammps and saw simple example lj_cut and functions Calculate and Single but i cant find information about parameters. Where i cant find description about all required functions and their parameters?
Good day. Im trying to add new potential in Lammps and saw simple example
lj_cut and functions Calculate and Single but i cant find information about
parameters. Where i cant find description about all required functions and
their parameters?
please read the LAMMPS documentation. there is a whole chapter about
adding styles.
there also is the developer's guide:
http://lammps.sandia.gov/doc/Developer.pdf
and you may want to have a look at the presentations about modifying LAMMPS
from the LAMMPS workshops.
axel.