VOTCA: multiscale frameworks for quantum and classical simulations in soft matter
VOTCA: multiscale frameworks for quantum and classical simulations in soft matter - Published in JOSS (2024)
https://github.com/votca/votca
Keywords
charge-transport coarse-grained-molecular-dynamics coarse-graining excited-states gromacs gw-bse molecular-dynamics multiscale-simulation votca
Keywords from Contributors
computational-chemistry computational-physics quantum-chemistry quantum-classical mpi lammps parallel-computing closember particles chemistry
Last synced: 10 months ago
JSON representation
Acceptance Criteria
- Revelant topics? true
- External users? true
- Open source license? true
- Active? true
- Fork? false
Repository metadata
The source of the votca-csg and xtp packages
- Host: GitHub
- URL: https://github.com/votca/votca
- Owner: votca
- License: apache-2.0
- Created: 2016-11-28T23:02:45.000Z (over 9 years ago)
- Default Branch: master
- Last Pushed: 2025-10-03T18:45:31.000Z (10 months ago)
- Last Synced: 2025-10-18T21:59:48.194Z (10 months ago)
- Topics: charge-transport, coarse-grained-molecular-dynamics, coarse-graining, excited-states, gromacs, gw-bse, molecular-dynamics, multiscale-simulation, votca
- Language: C++
- Homepage: https://www.votca.org
- Size: 124 MB
- Stars: 54
- Watchers: 7
- Forks: 31
- Open Issues: 80
- Releases: 0
-
Metadata Files:
- Readme: README.rst
- Changelog: CHANGELOG.rst
- Contributing: CONTRIBUTING.md
- License: LICENSE
- Citation: CITATION.cff
Owner metadata
- Name: votca
- Login: votca
- Email: votca@votca.org
- Kind: organization
- Description:
- Website: http://www.votca.org
- Location:
- Twitter:
- Company:
- Icon url: https://avatars.githubusercontent.com/u/4510560?v=4
- Repositories: 29
- Last ynced at: 2023-08-05T19:56:59.740Z
- Profile URL: https://github.com/votca
GitHub Events
Total
- Create event: 9
- Release event: 1
- Issues event: 16
- Watch event: 9
- Delete event: 8
- Issue comment event: 29
- Push event: 40
- Pull request review comment event: 10
- Pull request review event: 16
- Pull request event: 15
- Fork event: 2
Last Year
- Create event: 8
- Release event: 1
- Issues event: 13
- Watch event: 9
- Delete event: 7
- Issue comment event: 23
- Push event: 34
- Pull request review comment event: 10
- Pull request review event: 15
- Pull request event: 13
- Fork event: 2
Committers metadata
Last synced: 10 months ago
Total Commits: 17,055
Total Committers: 101
Avg Commits per committer: 168.861
Development Distribution Score (DDS): 0.666
Commits in past year: 31
Committers in past year: 5
Avg Commits per committer in past year: 6.2
Development Distribution Score (DDS) in past year: 0.452
| Name | Commits | |
|---|---|---|
| Christoph Junghans | j****s@v****g | 5698 |
| Jens Wehner | j****r@g****m | 2702 |
| JoshuaSBrown | j****7@y****m | 1134 |
| Votca Bot | g****b@v****g | 1088 |
| Victor Ruehle | r****e@m****e | 787 |
| felipez | t****l@g****m | 572 |
| Denis Andrienko | d****o@m****e | 557 |
| Bjoern Baumeier | b****r@t****l | 406 |
| JoshuaSBrown | j****h@v****g | 348 |
| Carl Poelking | c****g@m****e | 304 |
| rubengerritsen | r****n@g****m | 249 |
| Nicolas Renaud | n****d@g****m | 247 |
| marvinbernhardt | m****t | 210 |
| Jens Wehner | j****r@m****e | 197 |
| Jeroen van der Holst | j****t@g****m | 195 |
| Bjoern Baumeier | b****r@m****e | 172 |
| Mara Jochum | j****m@m****e | 165 |
| Thorsten Vehoff | v****f@m****e | 135 |
| Falk May | m****k@m****e | 126 |
| Denis Andrienko | a****k@m****e | 119 |
| JavierSijen | j****1@s****l | 108 |
| Pranav Madhikar | p****r@g****m | 107 |
| James Kirkpatrick | j****9@i****k | 104 |
| Sikandar Mashayak | s****k@g****m | 101 |
| Pascal Kordt | k****t@m****e | 98 |
| Alexander Lukyanov | l****v@m****e | 90 |
| Sebastian Fritsch | f****h@m****e | 86 |
| schererc | c****3@g****m | 84 |
| Bjoern Baumeier | b****r@v****g | 81 |
| Vivek Sundaram | v****m@t****l | 68 |
| and 71 more... | ||
Committer domains:
- mpip-mainz.mpg.de: 19
- votca.org: 5
- tue.nl: 4
- icp.uni-stuttgart.de: 3
- csi.tu-darmstadt.de: 3
- esciencecenter.nl: 3
- student.tue.nl: 2
- suse.de: 2
- ic.ac.uk: 1
- students.uni-mainz.de: 1
- fz-juelich.de: 1
- ncsu.edu: 1
- ku.edu.tr: 1
- cpc.tu-darmstadt.de: 1
- codacy.com: 1
- cs.kuleuven.be: 1
- uni-mainz.de: 1
- qq.com: 1
- debian.org: 1
- pckr152.mpip-mainz.mpg.de: 1
- michaelcho.dev: 1
- fastmail.com: 1
- pckr157.mpip-mainz.mpg.de: 1
- simbeyond.com: 1
- curtin.edu.au: 1
- pop-os.localdomain: 1
- cmm.ki.si: 1
- v216083.vpn.tue.nl: 1
- deutschebahn.com: 1
Issue and Pull Request metadata
Last synced: 10 months ago
Total issues: 66
Total pull requests: 223
Average time to close issues: 7 months
Average time to close pull requests: 26 days
Total issue authors: 22
Total pull request authors: 22
Average comments per issue: 2.97
Average comments per pull request: 2.21
Merged pull request: 196
Bot issues: 0
Bot pull requests: 0
Past year issues: 9
Past year pull requests: 16
Past year average time to close issues: 2 days
Past year average time to close pull requests: about 9 hours
Past year issue authors: 7
Past year pull request authors: 3
Past year average comments per issue: 0.56
Past year average comments per pull request: 1.81
Past year merged pull request: 14
Past year bot issues: 0
Past year bot pull requests: 0
Top Issue Authors
- junghans (25)
- baumeier (10)
- yurivict (5)
- sundaramvivek10 (4)
- felipeZ (3)
- tgupta2222 (2)
- NicoRenaud (2)
- arthur-lin1027 (1)
- lxm1117 (1)
- JensWehner (1)
- AlexanderDKazakov (1)
- ipelupessy (1)
- tavanfran (1)
- hyzhangtjnk (1)
- vophys (1)
Top Pull Request Authors
- junghans (123)
- baumeier (35)
- votca-bot (21)
- jkrajniak (8)
- marvinbernhardt (7)
- NicoRenaud (5)
- rubengerritsen (3)
- pmadhikar (3)
- jan-janssen (2)
- sundaramvivek10 (2)
- cho-m (2)
- kyleniemeyer (2)
- jngrad (1)
- schererc (1)
- satyenvd (1)
Top Issue Labels
- xtp (10)
- enhancement (4)
- help wanted (1)
- bug (1)
Top Pull Request Labels
- csg (4)
- xtp (3)
- csg-tutorials (1)
Package metadata
- Total packages: 1
- Total downloads: unknown
- Total dependent packages: 0
- Total dependent repositories: 0
- Total versions: 2
conda-forge.org: votca
VOTCA is a software package which focuses on the analysis of molecular dynamics data, the development of systematic coarse-graining techniques as well as methods used for simulating microscopic charge (and exciton) transport in disordered semiconductors. Its C++ core is interfaced to Bash and Perl flow-control scripts.
- Homepage: https://www.votca.org
- Licenses: Apache-2.0
- Latest release: 2022 (published over 4 years ago)
- Last Synced: 2025-10-26T02:03:17.724Z (10 months ago)
- Versions: 2
- Dependent Packages: 0
- Dependent Repositories: 0
-
Rankings:
- Forks count: 32.039%
- Dependent repos count: 34.025%
- Average: 39.804%
- Stargazers count: 41.977%
- Dependent packages count: 51.175%
Score: -Infinity