Xiaoliang,
Please see note below from Steve regarding conservation of both energy and momentum.
Sreekant
Xiaoliang,
Please see note below from Steve regarding conservation of both energy and momentum.
Sreekant
Ok, thanks
I think it can conserve both total energy and total momentum of the system. Because when all atoms don’t move, the total potential energy is a constant, so conserving total kenetic energy and total momentum can lead to conservation of both total energy and total momentum.
I’ve checked it in my simulations, and not found any issue.
Wish it a good velocity swap method for Muller Plathe method.
Xiaoliang Zhang
— 09年12月25日,周五, Sreekant Narumanchi <sreekant.narumanchi@…24…> 写道: