[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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