55 lines
1.9 KiB
Plaintext
55 lines
1.9 KiB
Plaintext
This package contains a LAMMPS implementation of a background
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Lattice-Boltzmann fluid, which can be used to model MD particles
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influenced by hydrodynamic forces. Details are described in these two
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papers:
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Mackay, F. E., Ollila, S.T.T., and Denniston, C., Hydrodynamic Forces
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Implemented into LAMMPS through a lattice-Boltzmann fluid, Computer
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Physics Communications 184 (2013) 2021-2031.
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Mackay, F. E., and Denniston, C., Coupling MD particles to a
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lattice-Boltzmann fluid through the use of conservative forces,
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J. Comput. Phys. 237 (2013) 289-298.
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See the doc page for the fix lb/fluid command to get started, and see
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brief descriptions of other fixes below, each of which have their own
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doc page.
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There are example scripts for using this package in
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examples/USER/lb.
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IMPORTANT NOTE: This package can only be used if LAMMPS is compiled
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with MPI (i.e. the serial makefile should not be used to compile the
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code). Also, several of the test examples provided make use of the
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rigid fix. Therefore, this should be included in the LAMMPS build by
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typing "make yes-rigid" prior to the usual compilation (see the
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"Including/excluding packages" section of the LAMMPS manual).
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The creators of this package are as follows:
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Frances Mackay
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University of Western Ontario
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fmackay@uwo.ca
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Dr. Colin Denniston
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University of Western Ontario
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cdennist@uwo.ca
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--------------------------------------------------------------------------
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Fixes provided by this package:
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fix_lb_fluid.cpp: fix used to create the lattice-Boltzmann fluid on a
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grid covering the LAMMPS simulation domain.
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fix_momentum_lb.cpp: fix used to subtract off the total (atom plus fluid)
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linear momentum from the system.
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fix_pc.cpp: integration algorithm for individual atoms.
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fix_rigid_pc_sphere.cpp: integration algorithm for rigid spherical
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collections of atoms.
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fix_viscous_lb.cpp: fix to add the fluid force to the atoms when using a
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built-in LAMMPS integrator.
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