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[lammps-users] How to distinguish between liquid and vapor atoms of the same type by means of each atom' s coordination number?
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[lammps-users] How to distinguish between liquid and vapor atoms of the same type by means of each atom' s coordination number?


From: saeed alborzi <alborzi.saeed6@...24...>
Date: Tue, 7 Nov 2017 14:19:18 +0330

Hello all,

I am trying to count the number of liquid and vapor atoms in a unit simulation box every timestep. I have calculated each atom's coordination number using compute coord/atom. but I am confused how to define a conditional piece of commands to count the number of atoms with (coord. number > N) and atoms with (coord. number < N) . Could anyone please help me?

Thanks