[ase-users] Lammps Reader

Jonathan jonathan.bean at york.ac.uk
Mon Dec 18 20:11:56 CET 2017


Hello All

I've just been trying to read in a lammp-data type file into the ASE 
reader but I am getting the following error message

"TypeError: %d format: a number is required, not str"

But this file (see below) works fine with LAMMPS

"LAMMPS Description

4 atoms
1 atom types
-33.100000 33.100000 xlo xhi
-33.100000 33.100000 ylo yhi
-33.100000 33.100000 zlo zhi

Atoms

1 1    -33.10000000   -33.10000000   -33.10000000
2 1    -31.44500000   -31.44500000   -31.44500000
3 1    -33.10000000   -33.10000000   -29.79000000
4 1    -31.44500000   -31.44500000   -28.13500000"

Not sure whether anyone has any insights into this.

Jonathan






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