[lammps-users] change number of atoms ,bonds and angles

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1

Dear Steve,

I want to add atoms ,bonds or angles to system when I do simulation ,for example , When the distance of two atoms is less than Rc, one bond can be formed. if three atoms, two bonds and one angle can be formed.

The neigh_list must be changed because of number of atoms changing. If I change number of atoms,bonds,and angles through modify atom.h/cpp or atom.vec..cpp, I want to know Whether neigh_.h/cpp also should be modifed. Would you like to give me some suggestion ?

Thanks in advance

2

Adding bonds, angles, etc is non-trivial. Many data structs
within LAMMPS have to change. So I really can't advise
you how to do it.

Steve