delete TWO atoms of two different groups

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1

Dear all,

Referring to lammps-28Jun14

How to delete TWO atoms of two different groups if they have cutoff=1.3 during dynamics?

Tried:

run 1000000 every 100 “delete_atoms overlap 1.3 oxygen carbon”

but this deletes only 1 atoms in group “oxygen”

Many thanks, Nasser

2

Dear all,

Referring to lammps-28Jun14

How to delete TWO atoms of two different groups if they have cutoff=1.3
during dynamics?

my guess is that you have to do some programming and write a custom
fix style for that that combines elements of fix bond/create (to
detect contacts) and fix gcmc (to delete atoms/molecules).

what you are asking for sound very odd. do you mind to explain, what
is the purpose of this deleting of close contacts?

Tried:

run 1000000 every 100 "delete_atoms overlap 1.3 oxygen carbon"

but this deletes only 1 atoms in group “oxygen”

yes, please see the delete_atoms command documentation. that is what
it is supposed to do.

3

Dear Axel,

Thank you for the reply.

I am simulating SiO2 + C reaction and need to delete or evaporate the formed CO and CO2 molecules.

Thanks,Nasser

4

Dear Axel,

Thank you for the reply.

I am simulating SiO2 + C reaction and need to delete or evaporate the formed
CO and CO2 molecules.

how is that a physical model? in the real world, molecules have to
diffuse away. they cannot just vanish.