The Generalized Green's function Cluster Expansion
The Generalized Green's function Cluster Expansion: A Python package for simulating polarons - Published in JOSS (2023)
Science Score: 93.0%
This score indicates how likely this project is to be science-related based on various indicators:
-
○CITATION.cff file
-
✓codemeta.json file
Found codemeta.json file -
✓.zenodo.json file
Found .zenodo.json file -
✓DOI references
Found 7 DOI reference(s) in README and JOSS metadata -
✓Academic publication links
Links to: joss.theoj.org -
○Committers with academic emails
-
○Institutional organization owner
-
✓JOSS paper metadata
Published in Journal of Open Source Software
Keywords
Repository
Numerically exact Green's functions for lattice polaron models, easily and efficiently
Basic Info
- Host: GitHub
- Owner: matthewcarbone
- License: bsd-3-clause
- Language: Python
- Default Branch: master
- Homepage: https://matthewcarbone.github.io/GGCE/
- Size: 1.38 MB
Statistics
- Stars: 11
- Watchers: 5
- Forks: 4
- Open Issues: 12
- Releases: 1
Topics
Metadata Files
README.md
[](https://github.com/pre-commit/pre-commit) [](https://black.readthedocs.io/en/stable/) **Numerically exact Green's functions for lattice polaron models, easily and efficiently** _If you use this work, please cite us!_
[GGCE Software (JOSS)](https://doi.org/10.21105/joss.05115) | [Original Paper (PRB)](https://doi.org/10.1103/PhysRevB.104.035106) | [Bond-Peierls Paper (PRB)](https://doi.org/10.1103/PhysRevB.104.L140307)
💾 Installation
Just use pip!
bash
conda create -n py3.9-ggce python=3.9 -y
conda activate py3.9-ggce
pip install ggce
We provide detailed information on advanced installation at our documentation.
🚀 Quickstart
Get started in a few lines of code right here!
Or, checkout our intro tutorial: 
⚠️ Known issues
Currently, PETSc is not building properly (we believe this is a problem with the petsc4py wheel or something like this).
If you would like to help contribute to this bugfix, please see this PR!
🙏 Acknowledgements
This software is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, Department of Energy Computational Science Graduate Fellowship under Award Number DE-FG02-97ER25308. This work also used theory and computational resources of the Center for Functional Nanomaterials, which is a U.S. Department of Energy Office of Science User Facility, and the Scientific Data and Computing Center, a component of the Computational Science Initiative, at Brookhaven National Laboratory under Contract No. DE-SC0012704. We also acknowledge support from the Natural Sciences and Engineering Research Council of Canada (NSERC) and the Stewart Blusson Quantum Matter Institute (SBQMI).
Owner
- Name: Matthew Carbone
- Login: matthewcarbone
- Kind: user
- Location: New York, NY
- Company: Brookhaven National Laboratory
- Website: matthewcarbone.github.io
- Repositories: 9
- Profile: https://github.com/matthewcarbone
Assistant Computational Scientist, Brookhaven National Laboratory
JOSS Publication
The Generalized Green's function Cluster Expansion: A Python package for simulating polarons
Authors
Computational Science Initiative, Brookhaven National Laboratory, Upton, New York 11973, USA
Department of Physics and Astronomy, University of British Columbia, Vancouver, British Columbia V6T 1Z1, Canada, Stewart Blusson Quantum Matter Institute, University of British Columbia, Vancouver, British Columbia, V6T 1Z4 Canada
Department of Physics, Columbia University, New York, New York 10027, USA, Center for Computational Quantum Physics, Flatiron Institute, New York, New York 10010, USA
Department of Physics and Astronomy, University of British Columbia, Vancouver, British Columbia V6T 1Z1, Canada, Stewart Blusson Quantum Matter Institute, University of British Columbia, Vancouver, British Columbia, V6T 1Z4 Canada
Department of Chemistry, Columbia University, New York, New York 10027, USA
Department of Physics, Stanford University, Stanford, California 93405, USA, Geballe Laboratory for Advanced Materials, Stanford University, Stanford, California 94305, USA
Editor
Jarvist Moore Frost
Tags
computational quantum physics condensed matter physics materials scienceGitHub Events
Total
- Watch event: 1
- Create event: 1
Last Year
- Watch event: 1
- Create event: 1
Committers
Last synced: 7 months ago
Top Committers
| Name | Commits | |
|---|---|---|
| Matthew Carbone | x****e@g****m | 389 |
| Stepan Fomichev | s****5@g****m | 107 |
| Stefano Ragni | s****i@o****m | 1 |
Issues and Pull Requests
Last synced: 6 months ago
All Time
- Total issues: 42
- Total pull requests: 38
- Average time to close issues: 6 months
- Average time to close pull requests: about 1 month
- Total issue authors: 4
- Total pull request authors: 6
- Average comments per issue: 2.55
- Average comments per pull request: 3.29
- Merged pull requests: 29
- Bot issues: 0
- Bot pull requests: 1
Past Year
- Issues: 0
- Pull requests: 0
- Average time to close issues: N/A
- Average time to close pull requests: N/A
- Issue authors: 0
- Pull request authors: 0
- Average comments per issue: 0
- Average comments per pull request: 0
- Merged pull requests: 0
- Bot issues: 0
- Bot pull requests: 0
Top Authors
Issue Authors
- matthewcarbone (29)
- Chiffafox (10)
- pranav997 (2)
- Neutrino155 (1)
Pull Request Authors
- Chiffafox (19)
- matthewcarbone (12)
- st3r4g (3)
- dependabot[bot] (1)
- codacy-badger (1)
- Neutrino155 (1)
Top Labels
Issue Labels
Pull Request Labels
Dependencies
- loguru *
- monty *
- numpy <1.24
- scipy *
- tqdm *
- actions/checkout v3 composite
- actions/configure-pages v2 composite
- actions/deploy-pages v1 composite
- actions/setup-python v2 composite
- actions/upload-pages-artifact v1 composite
- codecov/codecov-action v2 composite
- mpi4py/setup-mpi v1 composite
- pypa/gh-action-pypi-publish release/v1 composite
- rickstaa/action-black v1 composite
- suo/flake8-github-action releases/v1 composite
- actions/checkout v3 composite
- actions/setup-python v2 composite
- codecov/codecov-action v2 composite
- mpi4py/setup-mpi v1 composite