36 lines
1.4 KiB
Plaintext
36 lines
1.4 KiB
Plaintext
This package implements the dissipative particle dynamics (DPD) method
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under isothermal, isoenergetic, isobaric and isenthalpic conditions.
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The DPD equations of motion are integrated efficiently through the
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Shardlow splitting algorithm.
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Currently, the package has the following features:
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* A new DPD atom style for tracking the DPD particle internal energies
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and internal temperature
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* Compute commands for accessing the DPD particle internal energies
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and internal temperature
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* "fix eos" commands for relating the DPD internal energy to the DPD
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internal temperature through a coarse-grained particle
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equation-of-state
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* "fix shardlow" command for integrating the stochastic ODEs
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* Pair styles for modeling a DPD fluid
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* Commands for setting the particle internal temperature
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See the doc pages for "atom style dpd", "compute dpd" and "compute
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dpd/atom", "fix eos/cv" and "fix eos/table", "fix shardlow", "pair
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dpd/conservative" and "pair dpd/fdt" and "pair dpd/fdt/energy"
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commands to get started. At the bottom of the doc page are many links
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to additional documentation contained in the doc/USER/dpd directory.
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There are example scripts for using this package in examples/USER/dpd.
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The primary people who created this package are James Larentzos
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(james.p.larentzos.civ at mail.mil), Timothy Mattox (Timothy.Mattox at
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engilitycorp.com) and John Brennan (john.k.brennan.civ at mail.mil).
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Contact them directly if you have questions.
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