lammps

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Axel Kohlmeyer bc6e42a610 add more extensive whitespace checking for fortran and unittests

2022-10-04 04:11:39 -04:00

Au.data

Add files via upload

2021-03-16 13:14:20 +01:00

elastic.py

Update kim commands

2021-03-19 13:23:15 -04:00

README

add more extensive whitespace checking for fortran and unittests

2022-10-04 04:11:39 -04:00

README

conversion of lammps scripts to python code using PyLammps interface

Example for elastic.py
python elastic.py Au.data EAM_Dynamo_Ackland_1987_Au__MO_754413982908_000 Au