GitHub - Cell-veto/postlhc: C++ implementation of Cell-veto Monte Carlo

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Name		Name	Last commit message	Last commit date
Latest commit History 90 Commits
legacy		legacy
test		test
.gitignore		.gitignore
Makefile		Makefile
README.txt		README.txt
adap_prober.hpp		adap_prober.hpp
ecmc.hpp		ecmc.hpp
fcc_latt		fcc_latt
harddisk.cpp		harddisk.cpp
harddisk.hpp		harddisk.hpp
import		import
io.cpp		io.cpp
ipl.cpp		ipl.cpp
ipl.hpp		ipl.hpp
jellium3.cpp		jellium3.cpp
jellium4.cpp		jellium4.cpp
lj.cpp		lj.cpp
lj.hpp		lj.hpp
ljg.cpp		ljg.cpp
main.cpp		main.cpp
marsaglia.hpp		marsaglia.hpp
order.py		order.py
paircorrel.cpp		paircorrel.cpp
pareto_prober.hpp		pareto_prober.hpp
random_conf		random_conf
square_latt		square_latt
storage.cpp		storage.cpp
storage.hpp		storage.hpp
tools.cpp		tools.cpp
tools.hpp		tools.hpp
triang_latt		triang_latt
vector.hpp		vector.hpp

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`postlhc': C++ implementation of Cell-veto Monte Carlo

This is a complete implementation of Cell-veto Monte Carlo (CVMC) for a number
of typical model potentials, in 2D and 3D. The code has been tested in
particular in the 2D / IPL (inverse power law) case. Some more obscure
features may still have bugs. Also, performance tuning is still missing. If
you run into problems, feel free to contact <sebastian.kapfer@fau.de>.

If you're using this, please cite the original publication,
Sebastian C. Kapfer, Werner Krauth:
"Cell-veto Monte Carlo algorithm for long-range systems"
http://journals.aps.org/pre/abstract/10.1103/PhysRevE.94.031302
arXiv:1606.06780 [cond-mat.stat-mech]

Building

In order to build the program, type the following:

make

Demo program

The demo program is intended to be modified according to your needs.
As is, it loads some starting configuration (you can find examples
in test/data), performs CVMC simulations, and writes periodic
snapshots. Usage:

./postlhc stor mono2d load test/data/hex-18144/ inter jellium4 exponent 1 strength 140.000000 seed 752 gofr

stor: select storage mechanism; mono2d for 2D, mono3d for 3D.
load: load a dataset, which is a directory containing two files:
periods gives the dimensions of the periodic box
coords.dat gives the particle's coordinates
inter: set interaction type.
jellium4: lattice-screened IPL
jellium3: screened IPL
ipl: bare IPL (exponent > D-1)
lj: Lennard-Jones
harddisk: hard disks
truncipl: truncated IPL
exponent, strength: set parameters of the interaction
seed: for the RNG.
gofr: enable writing radially averaged pair correlators along with the snapshots.

Implementing new interactions

See lj.cpp for a simple example with long-range interactions, and both
attractive and repulsive forces. If you have questions, feel free to mail
<sebastian.kapfer@fau.de>.

Order parameters

order.py computes some of the observables required to assess the
phase transition behavior of two-dimensional systems. If you
use this, please cite http://dx.doi.org/10.1103/PhysRevLett.114.035702
as well.