I did the check, explicitely computing the heat current with a separate
program, and the results agree with those of lammps, so there are not
compatibility problems apparently and everything works correctly..
Da: [email protected]
Data: 19/08/2014 20.25
A: "[email protected]"<[email protected]>
Cc: "LAMMPS Users Mailing List"<[email protected]>
Ogg: Re: Re: Re: [lammps-users] new pair style and current computation
unfortunately, i have no experience with that.
This makes me suspect that compatibility is not as obvious as I thought.
it's worth for me to write a separate program computing the heat current in