20 lines
733 B
Plaintext
20 lines
733 B
Plaintext
LAMMPS CG-SDK example problems
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Each of these sub-directories contains a sample problem for the SDK
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coarse grained MD potentials that you can run with LAMMPS.
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These are the two sample systems
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peg-verlet: coarse grained PEG surfactant/water mixture lamella
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verlet version
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this example uses the plain LJ term only, no charges.
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two variants are provided regular harmonic angles and
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the SDK variant that includes 1-3 LJ repulsion.
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sds-monolayer: coarse grained SDS surfactant monolayers at water/vapor
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interface.
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this example uses the SDK LJ term with coulomb and shows
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how to use the combined coulomb style vs. hybrid/overlay
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with possible optimizations due to the small number of
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charged particles in this system
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