Glotzer Group

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60 repositories

coxeter
Public
Collection of tools to help initialize and manipulate shapes.
shapes geometry physics computational-geometry polygons polyhedra
Python
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BSD 3-Clause "New" or "Revised" License
•5•22•11•3•Updated Feb 6, 2025Feb 6, 2025
freud
Public
Powerful, efficient particle trajectory analysis in scientific Python.
python science analysis molecular-dynamics computational-chemistry scientific-computing computational-physics data-analysis monte-carlo-simulation spatial-analysis
C++
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BSD 3-Clause "New" or "Revised" License
•50•287•35•5•Updated Feb 6, 2025Feb 6, 2025
signac
Public
Manage large and heterogeneous data spaces on the file system.
data database data-management reproducibility
Python
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BSD 3-Clause "New" or "Revised" License
•36•133•9•3•Updated Feb 6, 2025Feb 6, 2025
synced_collections
Public
Add transparent file synchronization to standard Python collections
Python
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BSD 3-Clause "New" or "Revised" License
•1•5•0•2•Updated Feb 5, 2025Feb 5, 2025
signac-dashboard
Public
Rapidly visualize signac projects through a customizable dashboard interface.
visualization flask data dashboard analysis signac
Python
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BSD 3-Clause "New" or "Revised" License
•6•16•19•2•Updated Feb 5, 2025Feb 5, 2025
row
Public
Row is a command line tool that helps you manage workflows on HPC resources.
rust workflow hpc slurm batch
Rust
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BSD 3-Clause "New" or "Revised" License
•0•11•0•0•Updated Feb 3, 2025Feb 3, 2025
hoomd-blue
Public
Molecular dynamics and Monte Carlo soft matter simulation on GPUs.
python cuda molecular-dynamics monte-carlo-simulation particle-system hard-particle docker simulation gpu singularity
C++
•
BSD 3-Clause "New" or "Revised" License
•138•359•11•1•Updated Feb 3, 2025Feb 3, 2025
gsd
Public
Read and write GSD files for use with HOOMD-blue.
python binary file-format hoomd gsd
Python
•
BSD 2-Clause "Simplified" License
•8•26•0•0•Updated Feb 3, 2025Feb 3, 2025
signac-examples
Public
Examples for the signac framework.
Jupyter Notebook
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BSD 3-Clause "New" or "Revised" License
•8•14•7•1•Updated Feb 3, 2025Feb 3, 2025
hoomd-benchmarks
Public
A collection of benchmarks for HOOMD-blue
Python
•
BSD 3-Clause "New" or "Revised" License
•1•8•0•0•Updated Feb 3, 2025Feb 3, 2025
workflows
Public
House commonly used GitHub actions and workflows.
Shell
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BSD 3-Clause "New" or "Revised" License
•0•0•0•0•Updated Feb 3, 2025Feb 3, 2025
software
Public
Conda recipes for Glotzer Lab software on HPC resources
Shell
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Other
•6•11•0•0•Updated Feb 3, 2025Feb 3, 2025
jetstream2-admin
Public
Python
•
BSD 3-Clause "New" or "Revised" License
•0•0•0•0•Updated Feb 3, 2025Feb 3, 2025
fresnel
Public
Publication quality path tracing in real time.
python simulation cuda soft-matter optix path-tracing
C++
•
BSD 3-Clause "New" or "Revised" License
•8•117•6•0•Updated Feb 3, 2025Feb 3, 2025
hoomd-examples
Public
HOOMD-blue example scripts.
python tutorial jupyter simulation molecular-dynamics monte-carlo-simulation particle-system hard-particle hoomd-blue
Jupyter Notebook
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BSD 3-Clause "New" or "Revised" License
•15•35•8•0•Updated Feb 3, 2025Feb 3, 2025
hoomd-validation
Public
Longer Running Validation Tests for HOOMD-blue
Python
•
BSD 3-Clause "New" or "Revised" License
•0•3•0•0•Updated Feb 3, 2025Feb 3, 2025
rowan
Public
A Python package for working with quaternions.
Python
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Other
•9•18•2•3•Updated Feb 1, 2025Feb 1, 2025
signac-flow
Public
Workflow management for signac-managed data spaces.
python workflow signac
Python
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BSD 3-Clause "New" or "Revised" License
•37•48•51•5•Updated Feb 1, 2025Feb 1, 2025
signac-docs
Public
Documentation for the signac framework.
BSD 3-Clause "New" or "Revised" License
•19•8•30•0•Updated Jan 31, 2025Jan 31, 2025
signac-benchmarks
Public
Benchmarks for the core signac application.
Python
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MIT License
•0•0•0•0•Updated Jan 31, 2025Jan 31, 2025
ovito-scripts
Public
A collection of scripts for pairing OVITO with freud and other Glotzer lab packages
Python
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BSD 3-Clause "New" or "Revised" License
•4•13•2•0•Updated Jan 31, 2025Jan 31, 2025
dupin
Public
Package for detecting rare events in molecular simulations.
Python
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BSD 3-Clause "New" or "Revised" License
•1•5•1•3•Updated Jan 16, 2025Jan 16, 2025
hpmc-energy-template
Public
Template repository for HPMC pair and/or external energy evaluators.
C++
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BSD 3-Clause "New" or "Revised" License
•10•0•0•0•Updated Jan 10, 2025Jan 10, 2025
hoomd-md-pair-template
Public
Template repository for HOOMD-blue C++ components.
C++
•
BSD 3-Clause "New" or "Revised" License
•10•1•0•0•Updated Jan 10, 2025Jan 10, 2025
hoomd-hpmc-shape-template
Public
Template repository for HOOMD-blue C++ components.
C++
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BSD 3-Clause "New" or "Revised" License
•10•0•0•0•Updated Jan 10, 2025Jan 10, 2025
hoomd-component-template
Public
Template repository for HOOMD-blue C++ components.
CMake
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BSD 3-Clause "New" or "Revised" License
•10•2•0•0•Updated Jan 10, 2025Jan 10, 2025
fresnel-examples
Public
Example notebooks for fresnel
Jupyter Notebook
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BSD 3-Clause "New" or "Revised" License
•4•6•0•0•Updated Jan 10, 2025Jan 10, 2025
fix-license-header
Public
Python
•
BSD 3-Clause "New" or "Revised" License
•0•3•0•0•Updated Jan 10, 2025Jan 10, 2025
freud-examples
Public
Examples for the freud library.
analysis simulation molecular-dynamics materials-science freud glotzer
Jupyter Notebook
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BSD 3-Clause "New" or "Revised" License
•6•14•2•3•Updated Jan 6, 2025Jan 6, 2025
libgetar
Public
Library to read and write GEneric Trajectory ARchives, a binary data format designed for efficient, extensible storage of trajectory data.
C
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MIT License
•0•2•6•0•Updated Jul 16, 2024Jul 16, 2024