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Update python/examples/pylammps/elastic/elastic.py

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Co-authored-by: Richard Berger <richard.berger@temple.edu>
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Evangelos Voyiatzis
2021-03-17 10:37:39 +01:00
committed by GitHub
parent 611eb306be
commit 05d6c1e757
1 changed files with 1 additions and 1 deletions
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python/examples/pylammps/elastic/elastic.py
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@ -179,7 +179,7 @@ def elastic():
L.box("tilt large") # to avoid termination if the final simulation box has a high tilt factor L.box("tilt large") # to avoid termination if the final simulation box has a high tilt factor
# use the OpenKIM model to set the energy interactions # use the OpenKIM model to set the energy interactions
L.kim_init(args.kim_model, "metal", "unit_conversion_mode") L.kim("init", args.kim_model, "metal", "unit_conversion_mode")
L.read_data(args.input_data_file) L.read_data(args.input_data_file)