search

paduagroup / clandpol

Polarisable force field for ionic liquids
10 stars 17 forks source link

Generate pair-p.lmp #2

Closed olihammond closed 4 years ago

olihammond commented 4 years ago

Added automatic concatenation of pair.lmp and pair-drude.lmp using shutil within polarizer.py to make pair-p.lmp, and updated the readme.

kateryna-goloviznina commented 4 years ago

Thanks! I'll move "import shutil" to the beginning of the file.