The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.
active 2023-09-16 → 2026-05-06 (UTC)
Activity over time
Daily event counts in the loaded window
Line chart, 964 days from 2023-09-16 to 2026-05-06. Pushes: 24 total, peak 4 in a day. Pull requests: 0 total, peak 0 in a day. Issues: 4 total, peak 2 in a day. Comments: 2 total, peak 2 in a day. Stars: 7 total, peak 3 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 |
|---|---|---|---|---|
| kloeffelt | 23 | 23 | 0 | 0 |
| foeroyingur | 4 | 0 | 0 | 2 |
| jobs-git | 2 | 0 | 0 | 0 |
| g-mathias | 1 | 1 | 0 | 0 |
Recent activity
Latest issues, pull requests and releases
- Issue comment#4foeroyingur2024-04-27 08:30WARNING! PCG DID NOT CONVERGE AFTER SHAKE_CG_ITER= 500 STEPS!
- Issue#4foeroyingur2024-04-27 08:30WARNING! PCG DID NOT CONVERGE AFTER SHAKE_CG_ITER= 500 STEPS!
- Issue comment#6foeroyingur2024-04-27 08:28Missing CPMD Pseudopotentials
- Issue#6foeroyingur2024-04-27 08:28Missing CPMD Pseudopotentials
- Issue#6jobs-git2024-01-20 13:10Missing CPMD Pseudopotentials
- Issue#5jobs-git2024-01-20 12:54What is the status of GPU resident mixed precision implementation for QMMM?
Totals cover only the window loaded into ClickHouse and count events, not GitHub's lifetime totals — 7 stars here means stars gained during the window, not the repo's star count.