Dear User,
I have sw potential parameter for water. I want to convert these parameter for gulp. Can any body guide me how I convert these parameter? Thanks in advance for all your kindness.
Regards,
Abbas
Dear User,
I have sw potential parameter for water. I want to convert these parameter
for gulp. Can any body guide me how I convert these parameter? Thanks in
advance for all your kindness.
the sw parameter file format is documented in the sw pair style documentation:
http://lammps.sandia.gov/doc/pair_sw.html
the rest is not a LAMMPS-related, but a GULP-related issue and thus
should be directed at the GULP equivalent of the lammps-users mailing
list.
you may find, however, that it might be even easier to take the
parameters directly from the publication describing the parameter file
you have and then do whatever GULP requires to input them into the
code.
axel.