loss of atoms

Hi everyone,

The script of LAMMPS input is the following.

lattice custom 4.032 a1 1 0 0 a2 0 1 0 a3 0 0 1 basis -0.013333 -0.013333 0.99999 basis -0.013333 0.493333 0.493333 basis -0.013333 0.99999 -0.013333 basis -0.026667 0.986667 0.986667 basis 0.493333 -0.013333 0.493333 basis 0.493333 0.493333 -0.013333 basis 0.000000 0.000000 0.000000 basis 0.973333 0.973333 0.973333 basis 0.480000 0.480000 0.986667 basis 0.480000 0.986667 0.480000 basis 0.99999 -0.013333 -0.013333 basis 0.986667 -0.026667 0.986667 basis 0.986667 0.480000 0.480000 basis 0.986667 0.986667 -0.026667

region alli block 0 1 0 1 0 1
create_box 1 alli
create_atoms 1 region alli basis 1 2 basis 2 2 basis 3 2 basis 4 1 basis 5 2 basis 6 1 basis 7 2 basis 8 1 basis 9 2 basis 10 1 basis 11 2 basis 12 1 basis 13 1 basis 14 1

And it still appears the same error after running.

Regards.

Pan

2012/2/16 Steve Plimpton <[email protected]>

basis -0.013333 0.493333 0.493333

LAMMPS will throw an error if all these values are
not between 0 and 1, so how is it possible you
are "losing" atoms?

Steve

You are stating you are loosing atoms after running? That means you start out with all the atoms but you are loosing some in the course of the simulation?

Christian

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