I wanted to ask if in LAMMPS it is possible to change the atom IDs of some selected atoms? For eg. let’s say we have 4 atoms with atom ids 1,2,3 and 4, and I want to change the atom ID of the third atom from 3 to 100, making the atom ids 1,2,100 and 4. If yes, which commands should I look into?
NOTE: What I am trying to achieve can be done without changing the atom IDs, however, changing the IDs would ease the effort a bit, hence curious.
I wanted to ask if in LAMMPS it is possible to change the atom IDs of some selected atoms?
no. atom ids are used to uniquely identify atoms and that - by necessity - conflicts with assigning them to arbitrary values.
For eg. let’s say we have 4 atoms with atom ids 1,2,3 and 4, and I want to change the atom ID of the third atom from 3 to 100, making the atom ids 1,2,100 and 4.
If yes, which commands should I look into?
NOTE: What I am trying to achieve can be done without changing the atom IDs, however, changing the IDs would ease the effort a bit, hence curious.
please explain what the use case would be. there are alternatives to attach arbitrary numerical labels to atoms.
axel.