[lammps-users] Possible problem with a data file

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1

Steve, LAMMPS users,
I am trying to do a NVT simulation (input script in.sw) in which I am reading the coordinates from a data file (coordinates.txt). For now I have kept the two atom types the same just to get started. The error I encounter is as follows:

coordinates.txt (6.77 KB)

Si.sw (653 Bytes)

in.sw (770 Bytes)

2

Try to add an empty line at the beginning of coordinates.txt. The first
line of data files is always skipped, so LAMMPS might get confused to find
atom data if it doesn't know how many atoms there are.

Hope this helps,

  Lutz