2019-04-17 00:32:47 +08:00
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The input script in.lammps simulates bulk water using the 2015 E3B potential.
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2019-04-26 07:02:35 +08:00
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2019-04-17 00:32:47 +08:00
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This script also demonstrates the use of compute pe/e3b to calculate the
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potential energy contribution of the e3b pair style. These potential energy
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contributions can be found in the output file e3b.txt. See the LAMMPS
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2019-04-26 07:02:35 +08:00
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documentation for more details.
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