[ase-users] Lammps Reader

[Ask Hjorth Larsen]

Hi,

2017-12-18 20:11 GMT+01:00 Jonathan via ase-users
<ase-users at listserv.fysik.dtu.dk>:
> 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"

Please provide the full stack trace and the exact command or script to
reproduce it.

Best regards
Ask

>
> 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
>
>
>
>
> _______________________________________________
> ase-users mailing list
> ase-users at listserv.fysik.dtu.dk
> https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users