[ase-users] Question about running lammps in ASE

[Yichen Qian]

Dear ASE-users,

I have been trying to run a lammps in script. My problem is can I read a in.file of lammps and let it run.

My thought is <are.io.read> module to read the in.file and use <ase.calculators.LAMMPSrun> to run the in.file. But I have no idea how to do it.

Best regards
Yichen
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://listserv.fysik.dtu.dk/pipermail/ase-users/attachments/20190522/6ad05c05/attachment.html>