import error while using lammps.py module

henniggroup / MPInterfaces

Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and without ligands/solvents).

http://henniggroup.github.io/MPInterfaces/

MIT License

73 stars 48 forks source link

import error while using lammps.py module #13

Open joshgabriel opened 7 years ago

joshgabriel commented 7 years ago

On execution of lammps.py

$ from ase.calculators.lammpsrun import LAMMPS, prism

gives

ImportError: cannot import name 'prism'

Most likely source of error: API change: refer https://gitlab.com/ase/ase/commit/52351106923e28f138caa97300f03e6c145eeb66

Proposed fix: change 'prism' to 'Prism' in mpinterfaces.lammps line 26

please verify.

Thanks, Josh