Dear all,
Is it possible to delete exact number of atoms of a particular type? When delete_atoms command with porosity style is used, it does not remove exact number of atoms.
With best regards,
Pritam
Dear all,
Is it possible to delete exact number of atoms of a particular type? When delete_atoms command with porosity style is used, it does not remove exact number of atoms.
With best regards,
Pritam
From the doc page, “There is no guarantee that the exact fraction of atoms will be deleted, or that the same atoms will be deleted when running on different numbers of processors.” So you will have to go with some other approaches.
Are you trying to create randomly distributed vacancies (what the porosity style is for) or a large void? If you have molecules you can also use the mol keyword within the delete_atoms command.
Ray