11 lines
262 B
Python
11 lines
262 B
Python
import lammps
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import lammps.mliap
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#from lammps.mliap.mliap_unified_lj import MLIAPUnifiedLJ
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from mliap_unified_jax import MLIAPUnifiedJAX
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def create_pickle():
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unified = MLIAPUnifiedJAX(["Ar"])
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unified.pickle('mliap_unified_jax_Ar.pkl')
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create_pickle() |