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Re: [lammps-users] Density Calculation
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Re: [lammps-users] Density Calculation

From: Ray Shan <rshan@...1795...>
Date: Sat, 5 May 2018 17:08:32 +0000

You can use a combination of compute chunk/atom and fix ave/chunk to achieve that.


On May 5, 2018, at 07:56, Robert Brown <mm229196@...7278...> wrote:

Dear Lammps users

I'd like to partition a simulation box into equal-sized bins and calculate the density of a molecule them.

Does anybody know if there is any command to do that?

Many thanks in advance

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