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git rebase error fix
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@sblackburn-mila
sblackburn-mila committed Feb 27, 2024
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TEMPERATURE=300
BOX_SIZE=1

<<<<<<< HEAD
lmp < lammps_input_example.lammps -v STEP 10 -v T $TEMPERATURE -v S $BOX_SIZE

# extract the thermodynamic outputs in a yaml file
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