TIP4P water pair style

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1

Dear LAMMPS users,

I noticed that in the new release of LAMMPS, the former pair style “lj/cut/coul/long/tip4p” has been renamed as “lj/cut/tip4p/long”. I wonder whether there is any essential change of the pair style in addition to the change of the name. Thanks.

Sincerely,

Kira Banks

2

There were some changes, notably how the dummy charge site is computed, resulting in significant speedups. There were also a few small bug fixes.

–AEI