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Remove deprecated LJ Aluminum example

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This commit is contained in:
Steven Ray Anaya
2022-04-15 14:29:58 -06:00
parent ebbace403a
commit f909d7760d
1 changed files with 0 additions and 21 deletions
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examples/mliap/pickle_mliap_unified_lj_Al.py
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import pickle
import lammps
import lammps.mliap
from lammps.mliap.mliap_unified_lj import MLIAPUnifiedLJ
if __name__ == '__main__':
unified = MLIAPUnifiedLJ()
unified.element_types = ["Al"]
unified.ndescriptors = 1
unified.nparams = 3
# Mimicking the LJ pair-style:
# pair_style lj/cut 2.5
# pair_coeff * * 1 1
unified.epsilon = 1.0
unified.sigma = 2.5
unified.rcutfac = 5.0
with open('mliap_unified_lj_Al.pkl', 'wb') as fp:
pickle.dump(unified, fp)