simple-dftd3 modified for GPU4PySCF, removing OpenMP dependency
active 2023-09-14 → 2026-08-16 (UTC)
Activity over time
Daily event counts in the loaded window
Line chart, 1068 days from 2023-09-14 to 2026-08-16. Pushes: 162 total, peak 13 in a day. Pull requests: 115 total, peak 10 in a day. Issues: 86 total, peak 13 in a day. Comments: 142 total, peak 18 in a day. Stars: 43 total, peak 1 in a day.
- Pushes
- Pull requests
- Issues
- Comments
- Stars
Stars, PRs, issues and forks are under-captured in the later part of this window. GH Archive progressively stopped capturing non-push events during 2026 — −95% or worse by the end of the window. Every series here except Pushes fades for that reason, so a decline above reflects the archive, not this repository. Pushes stay reliable throughout, so read them, and the contributor counts derived from them, as the real signal. Data health has the measurements.
Top contributors
Pushes, PRs, issues, reviews and comments — stars and forks excluded, so this is contribution rather than popularity
| Contributor | Contributions | Pushes | PRs | Comments |
|---|---|---|---|---|
| awvwgk | 311 | 78 | 87 | 54 |
| github-actions[bot] | 57 | 57 | 0 | 0 |
| codecov[bot] | 48 | 0 | 0 | 48 |
| Copilot | 29 | 21 | 1 | 2 |
| foxtran | 28 | 0 | 9 | 8 |
| marvinfriede | 16 | 6 | 6 | 2 |
| AlexBuccheri | 11 | 0 | 0 | 6 |
| tgmaxson | 5 | 0 | 0 | 2 |
| thfroitzheim | 5 | 0 | 2 | 2 |
| Andrew-S-Rosen | 5 | 0 | 0 | 2 |
| thangckt | 4 | 0 | 0 | 4 |
| wangenau | 4 | 0 | 1 | 2 |
| jamesagreen | 3 | 0 | 2 | 1 |
| lukaswittmann | 3 | 0 | 1 | 2 |
| github-advanced-security[bot] | 2 | 0 | 0 | 1 |
| shahmoradi | 2 | 0 | 0 | 0 |
| wxj6000 | 2 | 0 | 0 | 1 |
| fedepedron | 2 | 0 | 1 | 0 |
| miroi | 2 | 0 | 0 | 1 |
| jeanwsr | 2 | 0 | 0 | 2 |
Recent activity
Latest issues, pull requests and releases
- Issue#185awvwgk2026-05-16 08:23(Possibly) A bug in the treatment of systems with partial PBC and skewed cell
- Pull request#179awvwgk2026-04-26 14:58
- Issue comment#179codecov[bot]2026-04-26 09:14Update to version 1.3.1
- Issue#23awvwgk2026-04-26 08:49Looking for (co-)maintainers
- Issue comment#23awvwgk2026-04-26 08:49Looking for (co-)maintainers
- Issue#175awvwgk2026-04-12 19:04Wheels for Python 3.14
- Issue#175awvwgk2026-04-12 19:04Wheels for Python 3.14
- Issue comment#170awvwgk2026-03-29 10:57adapt for QCSchema v2 and Python v3.14
- Issue comment#170codecov[bot]2026-03-16 07:53adapt for QCSchema v2 and Python v3.14
- Issue comment#151thangckt2026-03-11 07:57Inconsistent energy correction between executable, Python API, and VASP
- Issue comment#151thangckt2026-03-11 00:55Inconsistent energy correction between executable, Python API, and VASP
- Issue comment#166Copilot2026-02-11 21:11Add tutorial and PySCF wrapper for 3c composite methods (D3 + gCP)
- Pull request#165Copilot2026-02-11 10:24
- Issue comment#163awvwgk2026-02-11 07:54Support Skala functional
- Issue comment#163Copilot2026-02-08 09:44Support Skala functional
- Pull request#164awvwgk2026-02-06 14:40
- Pull request#164awvwgk2026-02-06 14:35
- Pull request#158awvwgk2026-02-06 14:29
- Issue comment#158codecov[bot]2026-02-06 13:54Add parameters for PBEsol
- Issue comment#83awvwgk2026-02-06 13:47Deprecate setuptools support in favor of meson-python
- Issue comment#161awvwgk2026-02-06 10:54Fix CI: update Meson, macOS runner, and migrate to meson-python
- Pull request#158awvwgk2025-12-07 13:33
- Pull request#158awvwgk2025-12-07 13:33
- Issue#155wavefunction912025-09-10 23:56CMake Options/Variables should be Project-Scoped
- Issue comment#151Andrew-S-Rosen2025-08-25 12:40Inconsistent energy correction between executable, Python API, and VASP
Totals cover only the window loaded into ClickHouse and count events, not GitHub's lifetime totals — 43 stars here means stars gained during the window, not the repo's star count.