Please use the above citation when using Freud.
Welcome to Freud! Freud provides users the ability to analyze generic data from a variety of sources including simulation and experimental data for advanced metrics such as the radial distribution function and various order parameters.
If you have a question, please consider posting to the Freud-Users mailing list.
Official binaries of Freud are available via conda through
the glotzer channel.
To install Freud, first download and install
miniconda following conda's instructions.
Then add the
glotzer channel and install Freud:
$ conda config --add channels glotzer $ conda install freud
Use cmake to configure an out of source build and make to build freud.
mkdir build cd build cmake ../ make -j20
By default, freud installs to the USER_SITE directory. Which is in
~/.local on linux and in
~/Library on mac.
USER_SITE is on the python search path by default, there is no need to
To run out of the build directory, add the build directory to your
bash export PYTHONPATH=`pwd`:$PYTHONPATH
For more detailed instructions, see the documentation.
Freud makes use of submodules. CMAKE has been configured to automatically init and update submodules. However, if this does not work, or you would like to do this yourself, please execute:
git submodule init
- Python >= 2.7 (3.x recommended)
- Numpy >=1.7
- Boost (headers only)
- CMake >= 2.8.0 (to compile freud)
- C++ 11 capable compiler (tested with gcc >= 4.8.5, clang 3.5)
- Intel Thread Building Blocks
- Cython >= 0.23 (to compile your own _freud.cpp)
Freud analysis scripts are python scripts.
Here is a simple example.
import freud # create a freud compute object (rdf is the canonical example) rdf = freud.density.rdf(rmax=5, dr=0.1) # load in your data (freud does not provide a data reader) box_data = np.load("pth/to/box_data.npy") pos_data = np.load("pth/to/pos_data.npy") # create freud box box = freud.box.Box(Lx=box_data["Lx"], Ly=box_data["Ly"], is2D=True) # compute RDF rdf.compute(box, pos_data, pos_data) # get bin centers, rdf data r = rdf.getR() y = rdf.getRDF()
Building the documentation
Documentation written in sphinx. Please install sphinx:
conda install sphinx
pip install sphinx
To view the full documentation run the following commands in the source directory:
# Linux cd doc make html xdg-open build/html/index.html # Mac cd doc make html open build/html/index.html
If you have latex and/or pdflatex, you may also build a pdf of the documentation:
# Linux cd doc make latexpdf xdg-open build/latex/freud.pdf # Mac cd doc make latexpdf open build/latex/freud.pdf
Run all unit tests with nosetests in the source directory. To add a test, simply add a file to the
and nosetests will automatically discover it. See http://pythontesting.net/framework/nose/nose-introduction/ for
an introduction to writing nose tests.
cd source nosetests