[lammps-users] [LAMMPS-user]water potentials:tip4p and tip4p/ice

If the analytic equations for the 2 versions of TIP4P are
the same, then you don't need to modify the src code.
All the params (sigma, epsilon, etc) are inputs to
LAMMPS via the pair_style and pair_coeff commands.

If the eqs are different or some param is changed that
isn't accessible to the pair_style and pair_coeff command,
then you will have to change the src code. It would
probably be easy to do by simply deriving a class from
tip4p for tip4p/ice and changing a few lines of code.

This is true for all potentials in LAMMPS.

Steve

2010/10/30 tlx0509236.happy <[email protected]>: