Perform various analyses of particle simulations.

Navigation

Verified details

These details have been verified by PyPI
Maintainers
Avatar for b-butler from gravatar.com b-butler Avatar for bdice from gravatar.com bdice Avatar for joaander from gravatar.com joaander Avatar for kelwang from gravatar.com kelwang Avatar for tcmoore3 from gravatar.com tcmoore3 Avatar for tomwalt from gravatar.com tomwalt Avatar for vramasub from gravatar.com vramasub

Unverified details

These details have not been verified by PyPI
Project links
Meta
  • Requires: Python >=2.7, !=3.0.*, !=3.1.*, !=3.2.*

Project description

freud

DOI PyPI Anaconda-Server Badge Binder ReadTheDocs Codecov

The freud library provides users the ability to analyze molecular dynamics and Monte Carlo simulation trajectories for advanced metrics such as the radial distribution function and various order parameters. Its modules work with and return NumPy arrays, and are able to process both 2D and 3D data. Features in freud include computing the radial distribution function, local density, hexagonal order parameter and local bond order parameters, potentials of mean force and torque (PMFTs), Voronoi tessellations, and more.

When using freud to process data for publication, please use this citation.

freud Community

If you have a question, please post to the freud-users mailing list. Please report issues and suggest feature enhancements via the Bitbucket issues page.

Documentation

The documentation is available online at https://freud.readthedocs.io. These pages include an installation guide, examples demonstrating many of freud's core modules, API reference, and development guides for adding new features.

Examples

Many core features are demonstrated in the freud documentation. Additional example Jupyter notebooks can be found in the freud-examples repository. These notebooks may be launched interactively on Binder or downloaded and run on your own system.

Installing freud

Install via conda

conda install -c conda-forge freud

Install via pip

pip install freud-analysis

Compiling freud

Please refer to the installation documentation for help compiling freud from source.

Simple example script

The freud library is called using 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("path/to/box_data.npy")
pos_data = np.load("path/to/pos_data.npy")

# create freud box
box = freud.box.Box(Lx=box_data[0]["Lx"], Ly=box_data[0]["Ly"], is2D=True)
# compute RDF
rdf.compute(box, pos_data[0], pos_data[0])
# get bin centers, rdf data
r = rdf.R
y = rdf.RDF

Project details

Verified details

These details have been verified by PyPI
Maintainers
Avatar for b-butler from gravatar.com b-butler Avatar for bdice from gravatar.com bdice Avatar for joaander from gravatar.com joaander Avatar for kelwang from gravatar.com kelwang Avatar for tcmoore3 from gravatar.com tcmoore3 Avatar for tomwalt from gravatar.com tomwalt Avatar for vramasub from gravatar.com vramasub

Unverified details

These details have not been verified by PyPI
Project links
Meta
  • Requires: Python >=2.7, !=3.0.*, !=3.1.*, !=3.2.*

Release history Release notifications | RSS feed

3.1.0

3.0.0

2.13.2

2.13.1

2.13.0

2.12.1

2.12.0

2.11.0

2.10.0

2.9.0

2.8.0

2.7.0

2.6.2

2.6.1

2.6.0

2.5.1

2.5.0

2.4.1

2.4.0

2.3.0

2.2.0

2.1.0

2.0.1

2.0.0

1.2.2

1.2.1

1.2.0

1.1.0

1.0.0

This version

0.11.4

0.11.3

0.10.0

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

freud-analysis-0.11.4.tar.gz (3.9 MB view details)

Uploaded Source

Built Distributions

freud_analysis-0.11.4-cp37-cp37m-manylinux1_x86_64.whl (18.2 MB view details)

Uploaded CPython 3.7m

freud_analysis-0.11.4-cp37-cp37m-macosx_10_12_x86_64.whl (2.2 MB view details)

Uploaded CPython 3.7m macOS 10.12+ x86-64

freud_analysis-0.11.4-cp36-cp36m-manylinux1_x86_64.whl (18.3 MB view details)

Uploaded CPython 3.6m

freud_analysis-0.11.4-cp36-cp36m-macosx_10_12_x86_64.whl (2.2 MB view details)

Uploaded CPython 3.6m macOS 10.12+ x86-64

freud_analysis-0.11.4-cp35-cp35m-manylinux1_x86_64.whl (18.1 MB view details)

Uploaded CPython 3.5m

freud_analysis-0.11.4-cp35-cp35m-macosx_10_12_x86_64.whl (2.2 MB view details)

Uploaded CPython 3.5m macOS 10.12+ x86-64

freud_analysis-0.11.4-cp34-cp34m-manylinux1_x86_64.whl (18.2 MB view details)

Uploaded CPython 3.4m

freud_analysis-0.11.4-cp27-cp27mu-manylinux1_x86_64.whl (17.9 MB view details)

Uploaded CPython 2.7mu

freud_analysis-0.11.4-cp27-cp27m-manylinux1_x86_64.whl (17.9 MB view details)

Uploaded CPython 2.7m

freud_analysis-0.11.4-cp27-cp27m-macosx_10_12_x86_64.whl (2.2 MB view details)

Uploaded CPython 2.7m macOS 10.12+ x86-64

File details

Details for the file freud-analysis-0.11.4.tar.gz.

File metadata

  • Download URL: freud-analysis-0.11.4.tar.gz
  • Upload date:
  • Size: 3.9 MB
  • Tags: Source
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/1.12.1 pkginfo/1.4.2 requests/2.20.1 setuptools/40.5.0 requests-toolbelt/0.8.0 tqdm/4.28.1 CPython/3.7.1

File hashes

Hashes for freud-analysis-0.11.4.tar.gz
Algorithm Hash digest
SHA256 2b015267e7be4e80cd703ef2f3f3e75b907b86bb5a4429e6de1d56a5aeaa8561
MD5 286f38075a08612258c7867f35a4dd3a
BLAKE2b-256 52d7a9ef9664f8c84e2dd8456d1047ea206650d61c80d11fed93bba996026e76

See more details on using hashes here.

File details

Details for the file freud_analysis-0.11.4-cp37-cp37m-manylinux1_x86_64.whl.

File metadata

  • Download URL: freud_analysis-0.11.4-cp37-cp37m-manylinux1_x86_64.whl
  • Upload date:
  • Size: 18.2 MB
  • Tags: CPython 3.7m
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/1.12.1 pkginfo/1.4.2 requests/2.20.1 setuptools/40.5.0 requests-toolbelt/0.8.0 tqdm/4.28.1 CPython/3.7.1

File hashes

Hashes for freud_analysis-0.11.4-cp37-cp37m-manylinux1_x86_64.whl
Algorithm Hash digest
SHA256 e66cc65742552f1d502efd4e119719ea50a60e242d6055d78491fcde0f914459
MD5 bed9b0ed6a976c8abb3166a3a4824a7c
BLAKE2b-256 127a3c8727cdb0606b97414bd14c763585755c342e1ac7acfd8a476383f97e48

See more details on using hashes here.

File details

Details for the file freud_analysis-0.11.4-cp37-cp37m-macosx_10_12_x86_64.whl.

File metadata

  • Download URL: freud_analysis-0.11.4-cp37-cp37m-macosx_10_12_x86_64.whl
  • Upload date:
  • Size: 2.2 MB
  • Tags: CPython 3.7m, macOS 10.12+ x86-64
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/1.12.1 pkginfo/1.4.2 requests/2.20.1 setuptools/39.0.1 requests-toolbelt/0.8.0 tqdm/4.28.1 CPython/3.7.0

File hashes

Hashes for freud_analysis-0.11.4-cp37-cp37m-macosx_10_12_x86_64.whl
Algorithm Hash digest
SHA256 4a69942b251957df785dcca40c3ee4ae02d8b3e7350d3c06ce30f3e2457f45a6
MD5 2057b33ef833be3eab09999b723f60f7
BLAKE2b-256 7eb60ac98b1578028c98e151896ef7fb45a3a7df2f5dd67d8efcb2dad2102ff5

See more details on using hashes here.

File details

Details for the file freud_analysis-0.11.4-cp36-cp36m-manylinux1_x86_64.whl.

File metadata

  • Download URL: freud_analysis-0.11.4-cp36-cp36m-manylinux1_x86_64.whl
  • Upload date:
  • Size: 18.3 MB
  • Tags: CPython 3.6m
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/1.12.1 pkginfo/1.4.2 requests/2.20.1 setuptools/40.5.0 requests-toolbelt/0.8.0 tqdm/4.28.1 CPython/3.7.1

File hashes

Hashes for freud_analysis-0.11.4-cp36-cp36m-manylinux1_x86_64.whl
Algorithm Hash digest
SHA256 eb306648059b5fdf669676d8f34ae6588f7022ef6424db450b74d43a5cf8aa86
MD5 fdce7dc8f313f88c19c812e49a0f6744
BLAKE2b-256 fa6506d37b48fb6bfd3d97b036bd915cc7516cabb845f5cdcf6f22d5d09b1418

See more details on using hashes here.

File details

Details for the file freud_analysis-0.11.4-cp36-cp36m-macosx_10_12_x86_64.whl.

File metadata

  • Download URL: freud_analysis-0.11.4-cp36-cp36m-macosx_10_12_x86_64.whl
  • Upload date:
  • Size: 2.2 MB
  • Tags: CPython 3.6m, macOS 10.12+ x86-64
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/1.12.1 pkginfo/1.4.2 requests/2.20.1 setuptools/39.0.1 requests-toolbelt/0.8.0 tqdm/4.28.1 CPython/3.7.0

File hashes

Hashes for freud_analysis-0.11.4-cp36-cp36m-macosx_10_12_x86_64.whl
Algorithm Hash digest
SHA256 0d6122614f742819a0bf6f6d4eea741eeae55e3d7e17198a3fdc919cbeb9a1e7
MD5 30c79c438f1c401a164fb5825f97defa
BLAKE2b-256 2a70530422c3c564d7626ae0e3e7dec423d644d040a60dfe48de4336fa1c204c

See more details on using hashes here.

File details

Details for the file freud_analysis-0.11.4-cp35-cp35m-manylinux1_x86_64.whl.

File metadata

  • Download URL: freud_analysis-0.11.4-cp35-cp35m-manylinux1_x86_64.whl
  • Upload date:
  • Size: 18.1 MB
  • Tags: CPython 3.5m
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/1.12.1 pkginfo/1.4.2 requests/2.20.1 setuptools/40.5.0 requests-toolbelt/0.8.0 tqdm/4.28.1 CPython/3.7.1

File hashes

Hashes for freud_analysis-0.11.4-cp35-cp35m-manylinux1_x86_64.whl
Algorithm Hash digest
SHA256 ebe356ec2154feffd700a9bd7196c57a2c61387b56388dd66932a29b1d22b919
MD5 e7324b968a2ded75c52acdc3b2b8a1eb
BLAKE2b-256 05b6b9cb44582f6f15c18b41f828c7e0bd541e80c2be8a5036f580b22e3a6d17

See more details on using hashes here.

File details

Details for the file freud_analysis-0.11.4-cp35-cp35m-macosx_10_12_x86_64.whl.

File metadata

  • Download URL: freud_analysis-0.11.4-cp35-cp35m-macosx_10_12_x86_64.whl
  • Upload date:
  • Size: 2.2 MB
  • Tags: CPython 3.5m, macOS 10.12+ x86-64
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/1.12.1 pkginfo/1.4.2 requests/2.20.1 setuptools/39.0.1 requests-toolbelt/0.8.0 tqdm/4.28.1 CPython/3.7.0

File hashes

Hashes for freud_analysis-0.11.4-cp35-cp35m-macosx_10_12_x86_64.whl
Algorithm Hash digest
SHA256 4590a3e1eba5847f00f0cd35237be6b0813b12acc4e12f475685a78fe71e8879
MD5 49087de61da7eeb059aada8bc003bdc4
BLAKE2b-256 4024b7a4bbe0fc0d9a71b9a6e5b0fecff53a398f31cecbb11769b8ca173417cc

See more details on using hashes here.

File details

Details for the file freud_analysis-0.11.4-cp34-cp34m-manylinux1_x86_64.whl.

File metadata

  • Download URL: freud_analysis-0.11.4-cp34-cp34m-manylinux1_x86_64.whl
  • Upload date:
  • Size: 18.2 MB
  • Tags: CPython 3.4m
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/1.12.1 pkginfo/1.4.2 requests/2.20.1 setuptools/40.5.0 requests-toolbelt/0.8.0 tqdm/4.28.1 CPython/3.7.1

File hashes

Hashes for freud_analysis-0.11.4-cp34-cp34m-manylinux1_x86_64.whl
Algorithm Hash digest
SHA256 006ca7625c33b896567ec8728ff6546ba722e931b3e3ac5031c5443772aaf889
MD5 eb184ff1910f629e798c469348d1c4ed
BLAKE2b-256 7f1321d81e80e77b5c7046af45e1b738fafed07a4c23b98774609e9f8daa6fa1

See more details on using hashes here.

File details

Details for the file freud_analysis-0.11.4-cp27-cp27mu-manylinux1_x86_64.whl.

File metadata

  • Download URL: freud_analysis-0.11.4-cp27-cp27mu-manylinux1_x86_64.whl
  • Upload date:
  • Size: 17.9 MB
  • Tags: CPython 2.7mu
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/1.12.1 pkginfo/1.4.2 requests/2.20.1 setuptools/40.5.0 requests-toolbelt/0.8.0 tqdm/4.28.1 CPython/3.7.1

File hashes

Hashes for freud_analysis-0.11.4-cp27-cp27mu-manylinux1_x86_64.whl
Algorithm Hash digest
SHA256 9211cbadd277e231e1cee6c1aa759f01aef87b90bdc4d697fe6c9f362f61ba24
MD5 e8dfd927d38282210079910e09df4087
BLAKE2b-256 d16f4084f161f224ccdd0ef44e536c506f2ea2309693ba54db08543a96aec55b

See more details on using hashes here.

File details

Details for the file freud_analysis-0.11.4-cp27-cp27m-manylinux1_x86_64.whl.

File metadata

  • Download URL: freud_analysis-0.11.4-cp27-cp27m-manylinux1_x86_64.whl
  • Upload date:
  • Size: 17.9 MB
  • Tags: CPython 2.7m
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/1.12.1 pkginfo/1.4.2 requests/2.20.1 setuptools/40.5.0 requests-toolbelt/0.8.0 tqdm/4.28.1 CPython/3.7.1

File hashes

Hashes for freud_analysis-0.11.4-cp27-cp27m-manylinux1_x86_64.whl
Algorithm Hash digest
SHA256 948d0f80a0644abf2d484153d72cdf31fcd4403a6cdb2c0d561e1c345b90db33
MD5 7a393a3ba8cd2d6a95e00a6dd8f3f5d3
BLAKE2b-256 28cd32610b6d04f74a571b37b8d0a9fde8b9e1306a6b2cfbc7e2a578becc1770

See more details on using hashes here.

File details

Details for the file freud_analysis-0.11.4-cp27-cp27m-macosx_10_12_x86_64.whl.

File metadata

  • Download URL: freud_analysis-0.11.4-cp27-cp27m-macosx_10_12_x86_64.whl
  • Upload date:
  • Size: 2.2 MB
  • Tags: CPython 2.7m, macOS 10.12+ x86-64
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/1.12.1 pkginfo/1.4.2 requests/2.20.1 setuptools/39.0.1 requests-toolbelt/0.8.0 tqdm/4.28.1 CPython/3.7.0

File hashes

Hashes for freud_analysis-0.11.4-cp27-cp27m-macosx_10_12_x86_64.whl
Algorithm Hash digest
SHA256 c78b0292fadf77f17312d4bc421a7661ae05e126136356faaae92097bd5676f1
MD5 9c58201fcbbeafce24b4384b4a6c78a8
BLAKE2b-256 e9601d02d4dc8dafd04d11caf115fa2cb2319b872cf6c91e44f7a815e5c76962

See more details on using hashes here.

Supported by

AWS AWS Cloud computing and Security Sponsor Datadog Datadog Monitoring Fastly Fastly CDN Google Google Download Analytics Microsoft Microsoft PSF Sponsor Pingdom Pingdom Monitoring Sentry Sentry Error logging StatusPage StatusPage Status page