README
1This package contains a LAMMPS implementation of a background
2Lattice-Boltzmann fluid, which can be used to model MD particles
3influenced by hydrodynamic forces. Details are described in these two
4papers:
5
6Mackay, F. E., Ollila, S.T.T., and Denniston, C., Hydrodynamic Forces
7Implemented into LAMMPS through a lattice-Boltzmann fluid, Computer
8Physics Communications 184 (2013) 2021-2031.
9
10Mackay, F. E., and Denniston, C., Coupling MD particles to a
11lattice-Boltzmann fluid through the use of conservative forces,
12J. Comput. Phys. 237 (2013) 289-298.
13
14See the doc page for the fix lb/fluid command to get started, and see
15brief descriptions of other fixes below, each of which have their own
16doc page.
17
18There are example scripts for using this package in
19examples/PACKAGES/latboltz.
20
21IMPORTANT NOTE: This package can only be used if LAMMPS is compiled
22with MPI (i.e. the serial makefile should not be used to compile the
23code). Also, several of the test examples provided make use of the
24rigid fix. Therefore, this should be included in the LAMMPS build by
25typing "make yes-rigid" prior to the usual compilation (see the
26"Including/excluding packages" section of the LAMMPS manual).
27
28The creators of this package are as follows:
29
30Frances Mackay
31University of Western Ontario
32fmackay@uwo.ca
33
34Dr. Colin Denniston
35University of Western Ontario
36cdennist@uwo.ca
37
38--------------------------------------------------------------------------
39
40Fixes provided by this package:
41
42fix_lb_fluid.cpp: fix used to create the lattice-Boltzmann fluid on a
43 grid covering the LAMMPS simulation domain.
44
45fix_momentum_lb.cpp: fix used to subtract off the total (atom plus fluid)
46 linear momentum from the system.
47
48fix_pc.cpp: integration algorithm for individual atoms.
49
50fix_rigid_pc_sphere.cpp: integration algorithm for rigid spherical
51 collections of atoms.
52
53fix_viscous_lb.cpp: fix to add the fluid force to the atoms when using a
54 built-in LAMMPS integrator.
55