13 lines
600 B
Plaintext
13 lines
600 B
Plaintext
This directory contains input files for DPD simulations under
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isothermal, isoenergetic, isobaric and isoenthalpic conditions. In
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addition, there is also an example for a reaction DPD simulation under
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isoenergetic conditions. All the DPD scenarios that are named with
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*-shardlow use the Shardlow splitting algorithm to integrate the
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equations of motion. All the DPD scenarious that are named with
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*-vv utilize the velocity-Verlet integration scheme. The compute dpd
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command is used in the isoenergetic and isenthalpic case to
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demonstrate how one can access the particle internal energies.
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