Grow particle clusters via Diffusion Limited Aggregation
This simulator models the growth of DLA clusters, in 2 or 3 dimensions, on or off an underlying lattice. It uses both MPI and OpenMP to grow an ensemble of independent clusters in an embarassingly parallel manner.
Outputs include cluster particle positions in standard XYZ format, density correlations, cluster radii, radius of gryation, and capture fraction.
This code is distributed under the GNU General Public License (GPL), version 3. The NearTree library (see lib/NearTree-3.1.1/) is distributed under the GNU Lesser General Public License (LGPL), version 2.1.
./configure [--with-boost] [--with-mpi] [--with-openmp] make
DLA input file
# comment total_clusters = 1 # all processes, all threads process_threads = 1 cluster_particles = 3e3 medium = lattice_2D # lattice_2D, lattice_3D, fluid_2D, fluid_3D start_distance = 20.0 step_size = 1.0 # lattice parameter for lattice_?D media particle_radius = 0.5 capture_distance = 1.1 stickiness = 1.0 growth_step = 30 # 0: disable radius growth output xyz_step = 3e3 # 0: disable XYZ output status_step = 0 # 0: disable status output (rank 0, cluster 0) density_bin = 1 # 0: disable density correlation output rng_seed = 12345 # 0: use current time log_file = dla.log # default: stdout
Prepare an input file, as above. Run
DLA from the command line. If you
built DLA with MPI, use
mpiexec -np n where n is the number of processors.