Regarding GCM potential

Dear All,

I am studying dynamics properties of Gaussian Core model fluid, however this GCM potential is not defined in LAMMPS. So, please suggest how to incorporate that potential in my calculations.

Take a look at http://lammps.sandia.gov/doc/pair_table.html

Regards,
Oleg

Ginny arora <[email protected]…24…> 4 апреля 2014 г. 17:45:53 написал:

Dear All,

I am studying dynamics properties of Gaussian Core model fluid, however this
GCM potential is not defined in LAMMPS. So, please suggest how to

are you sure? have you looked at http://lammps.sandia.gov/doc/pair_gauss.html ?

Or if it can’t be tabulated, e.g. b/c it is not a pairwise
potential, then write a new pair style for LAMMPS:

doc/Section_modify.html

Steve