A high-performance, pure Rust library for calculating dynamic partial atomic charges using the Charge Equilibration (QEq) method, applicable to any molecular system.
active 2025-10-19 → 2026-02-23 (UTC)
Activity over time
Daily event counts in the loaded window
Line chart, 128 days from 2025-10-19 to 2026-02-23. Pushes: 30 total, peak 8 in a day. Pull requests: 22 total, peak 6 in a day. Issues: 26 total, peak 6 in a day. Comments: 13 total, peak 7 in a day. Stars: 2 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
Recent activity
Latest issues, pull requests and releases
- Pull request#22TKanX2026-02-23 10:30
- Issue#21TKanX2026-02-23 10:22Add Domain-specific Categories for Package Metadata
- Issue#21TKanX2026-02-23 10:22Add Domain-specific Categories for Package Metadata
- ReleaseTKanX2025-12-31 17:09v0.5.0
- Issue#19TKanX2025-12-31 17:07Implement Custom External Electric Fields & Electrostatic Embedding
- Pull request#20TKanX2025-12-31 17:07
- Pull request#20TKanX2025-12-31 16:46
- Issue#19TKanX2025-12-31 14:22Implement Custom External Electric Fields & Electrostatic Embedding
- Issue#19TKanX2025-12-31 14:22Implement Custom External Electric Fields & Electrostatic Embedding
- Issue#19TKanX2025-12-31 14:22Implement Custom External Electric Fields & Electrostatic Embedding
- ReleaseTKanX2025-12-22 02:01v0.4.0
- Issue#17TKanX2025-12-22 01:55Implement Exact STO Integrals & Precision Benchmarks
- Pull request#18TKanX2025-12-22 01:55
- Pull request#18TKanX2025-12-22 01:37
- Pull request#18TKanX2025-12-22 01:37
- Pull request#18TKanX2025-12-22 01:37
- Issue#17TKanX2025-12-20 07:46Implement Exact STO Integrals & Precision Benchmarks
- Issue#17TKanX2025-12-20 07:46Implement Exact STO Integrals & Precision Benchmarks
- Pull request#16TKanX2025-12-10 04:18
- Pull request#16TKanX2025-12-10 04:18
- Pull request#16TKanX2025-12-10 04:18
- Pull request#16TKanX2025-12-10 04:18
- Issue#15TKanX2025-12-10 02:15Add Configurable Lossy Optimizations (Hydrogen SCF, Cutoff, Hydrogen Inner Iters)
- Issue#15TKanX2025-12-10 02:15Add Configurable Lossy Optimizations (Hydrogen SCF, Cutoff, Hydrogen Inner Iters)
- Issue#15TKanX2025-12-10 02:15Add Configurable Lossy Optimizations (Hydrogen SCF, Cutoff, Hydrogen Inner Iters)
Totals cover only the window loaded into ClickHouse and count events, not GitHub's lifetime totals — 2 stars here means stars gained during the window, not the repo's star count.