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repowisecusp-ai-oss/kups

Commits

Every commit scored for change-risk against this repo's own history, so 'elevated' means elevated here rather than on some global curve.

Needs review

44of 133 scored

44 commits sit in this repo's top risk tercile, which is 33% of the 133scored. The cut is drawn against this codebase's own history rather than a global curve, so a quiet repo still fills its top band, and here it starts at 8.8 out of 10. What pushes a commit up is size and spread together: a large change confined to one area scores below a smaller one scattered across a dozen files.

Fix commits1310%Commits whose subject reads as a bug fix rather than new work.Written by an agent108%Read from commit trailers, so it counts what was declared.Change diffusion1.53bitsShannon entropy of a commit's churn across its files. Zero is a single file, and every extra bit is a doubling of how widely the change spread.Review threshold8.8out of 10Score a commit has to clear to land in this repo's top tercile.

How the work changed shape

Commit categories over time, read off the subject line. Fixes carry the accent because that is the series this chart exists to show.

Began docs-led, now leaning refactor.

Feature26%
Fix8%
Refactor21%
Docs24%
Test1%
Chore19%
Other1%
8%of indexed commits are agent-attributed(10 of 133)
claude (10)

Review-priority queue

Ranked by change-risk, highest first. Priority is a tercile of this repo's own distribution, so a quiet repo still fills its top band.

Commit review-priority queue
#CommitAuthorWhenLinesRiskTop driver
1
8617c397init
Nicholas Gao
3mo ago+70.0K -0
100%Elevated
more lines added than baseline
2
d7985105ci: refactor neighborlist tests (#153)
Nicholas Gao
2mo ago+4.0K -3.1K
99%Elevated
more lines added than baseline
3
7d1316f3refactor: Move make from state functions to application (#209)
Nicholas Gao
1mo ago+3.5K -1.9K
97%Elevated
more lines added than baseline
4
271ffdc4feat: add pytorch MACE and UMA (#120)
Nicholas Gao
2mo ago+4.0K -1.2K
97%Elevated
more lines added than baseline
5
a4effa3afeat: batch isolation in relaxation (#109)
Nicholas Gao
3mo ago+2.6K -1.6K
97%Elevated
more lines added than baseline
6
41bfa406refactor: Decompose neighbor list into Pipeline of selector → masks → compactor (#138)
Nicholas Gao
2mo ago+1.6K -447
95%Elevated
more lines added than baseline
7
b6da012frefactor: Split `neighborlist.py` into submodule package (#136)
Nicholas Gao
2mo ago+1.8K -1.5K
95%Elevated
more lines added than baseline
8
bade3680refactor: rename UnitCell vocabulary to Cell (#97)
Jonas Köhler
3mo ago+2.3K -2.0K
95%Elevated
more lines added than baseline
9
b7f8ae1bperf: Replace symmetric image stencil with anchored per-pair window for periodic image replication (#212)
Nicholas Gao
1mo ago+1.3K -111
92%Elevated
more lines added than baseline
10
71717b8dfeat: Add gradient filters to match ASE's FrechetCellFilter (#204)
Nicholas Gao
1mo ago+1.8K -785
92%Elevated
more lines added than baseline
11
f3c8c8f1feat: Add per-system Armijo and strong-Wolfe line-search transforms (#170)
Nicholas Gao
1mo ago+1.2K -94
92%Elevated
more lines added than baseline
12
f2825002feat: Add BAOAB NPT Langevin integrator (Gao–Fang–Wang JCP 2016) (#143)
Nicholas Gao
2mo ago+2.0K -16
92%Elevated
more lines added than baseline
13
aa11edfafeat: selective + chunked reading in HDF5 storage (#210)
Nicholas Gao
1mo ago+1.0K -315
88%Elevated
more lines added than baseline
14
789fe8b0refactor: Rename `lh`/`rh`/`for_indices` to `keys`/`queries`/`queried_keys` in neighbor list API (#171)
Nicholas Gao
1mo ago+838 -605
88%Elevated
more lines added than baseline
15
95d7aceachore: updating typing to strict pyrefly (#152)
Nicholas Gao
2mo ago+1.1K -792
88%Elevated
more lines added than baseline
16
744cf0d6ci: Add LAMMPS LJ Argon statistical reference suite (NVE/NVT/NPT) (#144)
Nicholas Gao
2mo ago+1.0K -38
88%Elevated
more lines added than baseline
17
06774d57feat: Widom test-particle insertion (#126)
Jonas Köhler
2mo ago+1.2K -20
88%Elevated
more lines added than baseline
18
d72e5304feat: Implementation of Fire2.0 and ABC Fire (#96)
sebastianecheverrir
3mo ago+771 -4
88%Elevated
more lines added than baseline
19
fd1df2f9docs: logging
Nicholas Gao
3mo ago+1.2K -1
88%Elevated
more lines added than baseline
20
6087feaarefactor: Replace `rh`/`rh_index_remap` call contract with `rh`/`for_indices` keyword-only API and extract mirroring into `MirrorPairEdges` postprocessor (#150)
Nicholas Gao
2mo ago+858 -700
85%Elevated
more lines added than baseline
21
402f3b5drefactor: Replace `FrechetFrame` with `DeformedFrame`/`MatrixLogFrame` and add `Frame.structure` dispatch (#202)
Nicholas Gao
1mo ago+629 -167
84%Elevated
more lines added than baseline
22
ae64c3e0ci: Optimize pytest (#154)
Nicholas Gao
2mo ago+767 -508
84%Elevated
more lines added than baseline
23
94b0a5b3feat: Add adaptive cutoff neighbor-list factory with count-based dense/cell-list policy (#148)
Nicholas Gao
2mo ago+591 -146
84%Elevated
more lines added than baseline
24
652258e6refactor: Unify `RadiusGraphConstructor`, `EdgeSetGraphConstructor`, and `PointCloudConstructor` into a single `GraphConstructor` (#151)
Nicholas Gao
2mo ago+432 -542
81%Elevated
more lines added than baseline
25
d69ff821ci: Add GPU e2e tests for MACE and UMA torch adapters (#133)
Nicholas Gao
2mo ago+572 -2
81%Elevated
more lines added than baseline
26
6136223afeat: Implement per-axis periodic mask support in cell list (#98)
Jonas Köhler
3mo ago+466 -93
81%Elevated
more lines added than baseline
27
a8427c5drefactor: Replace inclusion/exclusion indices with group-based motif lookup in blocking spheres (#105)
Nicholas Gao
3mo ago+417 -239
81%Elevated
more lines added than baseline
28
c2e4db13docs: mcmc moves
Nicholas Gao
3mo ago+558 -0
81%Elevated
more lines added than baseline
29
92a7b3e7refactor: Introduce `BaseFrame`/`LinearFrame` hierarchy and `Frame.parameter_gradient`/`vectors_gradient` (#167)
Nicholas Gao
2mo ago+432 -189
77%Elevated
more lines added than baseline
30
55792feafeat: Add `EmptyNeighborList` and `FixedEdgesNeighborList` implementations (#149)
Nicholas Gao
2mo ago+379 -30
77%Elevated
more lines added than baseline
31
8cb842eddocs: add neighborlist notebook
Nicholas Gao
3mo ago+635 -14
77%Elevated
more lines added than baseline
32
218a3b76chore: make lens value covariant
Nicholas Gao
3mo ago+289 -400
77%Elevated
more lines added than baseline
33
b96609f8feat: Add `Compression` policy and auto-batched block writes to `HDF5StorageWriter` (#180)
Nicholas Gao
1mo ago+325 -17
74%Elevated
more lines added than baseline
34
50a1432cfeat: Add total lattice gradient and per-axis periodicity masking for variable-cell relaxation (#178)
Nicholas Gao
1mo ago+382 -87
74%Elevated
more lines added than baseline
35
bcdac605refactor: Move cutoffs from `NeighborList.__call__` into instance state (#147)
Nicholas Gao
2mo ago+424 -376
74%Elevated
more lines added than baseline
36
0c1aea87fix: Correct cell rotation direction and guard against degenerate cell hashes and image counts (#135)
Nicholas Gao
2mo ago+287 -35
74%Elevated
more lines added than baseline
37
d56a0360refactor: Bundle integrator params into typed `IntegratorParams` dataclasses (#121)
Nicholas Gao
2mo ago+335 -151
74%Elevated
more lines added than baseline
38
28adce1crefactor: Adopt optax force convention in FIRE/FIRE2 transforms (#112)
Nicholas Gao
3mo ago+270 -90
74%Elevated
more lines added than baseline
39
25985df6refactor: Unify `kups_md_lj`/`kups_md_mlff`/`kups_relax_*` into single `kups_md`/`kups_relax` with discriminated `potential` config (#211)
Nicholas Gao
1mo ago+463 -660
70%Elevated
more lines added than baseline
40
9c8c6d56feat: Add `MatrixStructure` flag with `structured_matmul` and `structured_det_and_inverse` dispatch (#201)
Nicholas Gao
1mo ago+293 -1
70%Elevated
more lines added than baseline
41
dd76033dfeat: Add `LogTriclinicFrame` with closed-form triangular matrix log/exp parameterisation (#169)
Nicholas Gao
2mo ago+259 -10
70%Elevated
more lines added than baseline
42
f7ae1d10fix: Correct incremental GCMC exchange energies for batched Ewald and self-excluding neighbor lists (#226)
Nicholas Gao
1mo ago+304 -102
68%Elevated
more lines added than baseline
43
f67ba293feat: Add `FrechetFrame` and `triangular_3x3_expm` for ASE-style cell relaxation (#183)
Nicholas Gao
1mo ago+250 -3
68%Elevated
more lines added than baseline
44
0adf00fddocs: relocate media under docs/ and add theme-aware logo (#12)
Jonas Köhlerclaudeassisted
3mo ago+279 -9
68%Elevated
more lines added than baseline
45
52493389fix: Enforce sorted primary keys in `Table` and add `Table.new` (#250)
Alexander G. D. G. Matthewsclaudeassisted
1w ago+193 -31
65%Typical
more lines added than baseline
46
c914830arefactor: Replace `adaptive_cutoff_neighborlist_from_state` with `AdaptiveNeighborList` class supporting per-call cost-based dispatch (#215)
Nicholas Gao
1mo ago+338 -308
65%Typical
more lines added than baseline
47
15574347refactor: Compute stress via unified virial theorem, drop lattice-gradient method (#132)
Nicholas Gao
2mo ago+249 -243
65%Typical
more lines added than baseline
48
9cf9280cfix(neighborlist): undercount of periodic images in cell-list (#127)
Felix Musilclaudeassisted
2mo ago+239 -3
65%Typical
more lines added than baseline
49
ca8f694bfeat: Estimate `max_num_adsorbates` from vdW volumes, fix image-candidate replication (#164)
Nicholas Gao
2mo ago+275 -25
64%Typical
more lines added than baseline
50
bcb7dba1feat: Add `MaterializedFrame` and `Frame.materialize` (#137)
Nicholas Gao
2mo ago+181 -0
62%Typical
more lines added than baseline
  • 8617c397init
    Author
    Nicholas Gao
    When
    3mo ago
    Lines
    +70.0K -0
    Risk
    100%Elevated
  • d7985105ci: refactor neighborlist tests (#153)
    Author
    Nicholas Gao
    When
    2mo ago
    Lines
    +4.0K -3.1K
    Risk
    99%Elevated
  • 7d1316f3refactor: Move make from state functions to application (#209)
    Author
    Nicholas Gao
    When
    1mo ago
    Lines
    +3.5K -1.9K
    Risk
    97%Elevated
  • 271ffdc4feat: add pytorch MACE and UMA (#120)
    Author
    Nicholas Gao
    When
    2mo ago
    Lines
    +4.0K -1.2K
    Risk
    97%Elevated
  • a4effa3afeat: batch isolation in relaxation (#109)
    Author
    Nicholas Gao
    When
    3mo ago
    Lines
    +2.6K -1.6K
    Risk
    97%Elevated
  • 41bfa406refactor: Decompose neighbor list into Pipeline of selector → masks → compactor (#138)
    Author
    Nicholas Gao
    When
    2mo ago
    Lines
    +1.6K -447
    Risk
    95%Elevated
  • b6da012frefactor: Split `neighborlist.py` into submodule package (#136)
    Author
    Nicholas Gao
    When
    2mo ago
    Lines
    +1.8K -1.5K
    Risk
    95%Elevated
  • bade3680refactor: rename UnitCell vocabulary to Cell (#97)
    Author
    Jonas Köhler
    When
    3mo ago
    Lines
    +2.3K -2.0K
    Risk
    95%Elevated
  • b7f8ae1bperf: Replace symmetric image stencil with anchored per-pair window for periodic image replication (#212)
    Author
    Nicholas Gao
    When
    1mo ago
    Lines
    +1.3K -111
    Risk
    92%Elevated
  • 71717b8dfeat: Add gradient filters to match ASE's FrechetCellFilter (#204)
    Author
    Nicholas Gao
    When
    1mo ago
    Lines
    +1.8K -785
    Risk
    92%Elevated
  • f3c8c8f1feat: Add per-system Armijo and strong-Wolfe line-search transforms (#170)
    Author
    Nicholas Gao
    When
    1mo ago
    Lines
    +1.2K -94
    Risk
    92%Elevated
  • f2825002feat: Add BAOAB NPT Langevin integrator (Gao–Fang–Wang JCP 2016) (#143)
    Author
    Nicholas Gao
    When
    2mo ago
    Lines
    +2.0K -16
    Risk
    92%Elevated
  • aa11edfafeat: selective + chunked reading in HDF5 storage (#210)
    Author
    Nicholas Gao
    When
    1mo ago
    Lines
    +1.0K -315
    Risk
    88%Elevated
  • 789fe8b0refactor: Rename `lh`/`rh`/`for_indices` to `keys`/`queries`/`queried_keys` in neighbor list API (#171)
    Author
    Nicholas Gao
    When
    1mo ago
    Lines
    +838 -605
    Risk
    88%Elevated
  • 95d7aceachore: updating typing to strict pyrefly (#152)
    Author
    Nicholas Gao
    When
    2mo ago
    Lines
    +1.1K -792
    Risk
    88%Elevated
  • 744cf0d6ci: Add LAMMPS LJ Argon statistical reference suite (NVE/NVT/NPT) (#144)
    Author
    Nicholas Gao
    When
    2mo ago
    Lines
    +1.0K -38
    Risk
    88%Elevated
  • 06774d57feat: Widom test-particle insertion (#126)
    Author
    Jonas Köhler
    When
    2mo ago
    Lines
    +1.2K -20
    Risk
    88%Elevated
  • d72e5304feat: Implementation of Fire2.0 and ABC Fire (#96)
    Author
    sebastianecheverrir
    When
    3mo ago
    Lines
    +771 -4
    Risk
    88%Elevated
  • fd1df2f9docs: logging
    Author
    Nicholas Gao
    When
    3mo ago
    Lines
    +1.2K -1
    Risk
    88%Elevated
  • 6087feaarefactor: Replace `rh`/`rh_index_remap` call contract with `rh`/`for_indices` keyword-only API and extract mirroring into `MirrorPairEdges` postprocessor (#150)
    Author
    Nicholas Gao
    When
    2mo ago
    Lines
    +858 -700
    Risk
    85%Elevated
  • 402f3b5drefactor: Replace `FrechetFrame` with `DeformedFrame`/`MatrixLogFrame` and add `Frame.structure` dispatch (#202)
    Author
    Nicholas Gao
    When
    1mo ago
    Lines
    +629 -167
    Risk
    84%Elevated
  • ae64c3e0ci: Optimize pytest (#154)
    Author
    Nicholas Gao
    When
    2mo ago
    Lines
    +767 -508
    Risk
    84%Elevated
  • 94b0a5b3feat: Add adaptive cutoff neighbor-list factory with count-based dense/cell-list policy (#148)
    Author
    Nicholas Gao
    When
    2mo ago
    Lines
    +591 -146
    Risk
    84%Elevated
  • 652258e6refactor: Unify `RadiusGraphConstructor`, `EdgeSetGraphConstructor`, and `PointCloudConstructor` into a single `GraphConstructor` (#151)
    Author
    Nicholas Gao
    When
    2mo ago
    Lines
    +432 -542
    Risk
    81%Elevated
  • d69ff821ci: Add GPU e2e tests for MACE and UMA torch adapters (#133)
    Author
    Nicholas Gao
    When
    2mo ago
    Lines
    +572 -2
    Risk
    81%Elevated
  • 6136223afeat: Implement per-axis periodic mask support in cell list (#98)
    Author
    Jonas Köhler
    When
    3mo ago
    Lines
    +466 -93
    Risk
    81%Elevated
  • a8427c5drefactor: Replace inclusion/exclusion indices with group-based motif lookup in blocking spheres (#105)
    Author
    Nicholas Gao
    When
    3mo ago
    Lines
    +417 -239
    Risk
    81%Elevated
  • c2e4db13docs: mcmc moves
    Author
    Nicholas Gao
    When
    3mo ago
    Lines
    +558 -0
    Risk
    81%Elevated
  • 92a7b3e7refactor: Introduce `BaseFrame`/`LinearFrame` hierarchy and `Frame.parameter_gradient`/`vectors_gradient` (#167)
    Author
    Nicholas Gao
    When
    2mo ago
    Lines
    +432 -189
    Risk
    77%Elevated
  • 55792feafeat: Add `EmptyNeighborList` and `FixedEdgesNeighborList` implementations (#149)
    Author
    Nicholas Gao
    When
    2mo ago
    Lines
    +379 -30
    Risk
    77%Elevated
  • 8cb842eddocs: add neighborlist notebook
    Author
    Nicholas Gao
    When
    3mo ago
    Lines
    +635 -14
    Risk
    77%Elevated
  • 218a3b76chore: make lens value covariant
    Author
    Nicholas Gao
    When
    3mo ago
    Lines
    +289 -400
    Risk
    77%Elevated
  • b96609f8feat: Add `Compression` policy and auto-batched block writes to `HDF5StorageWriter` (#180)
    Author
    Nicholas Gao
    When
    1mo ago
    Lines
    +325 -17
    Risk
    74%Elevated
  • 50a1432cfeat: Add total lattice gradient and per-axis periodicity masking for variable-cell relaxation (#178)
    Author
    Nicholas Gao
    When
    1mo ago
    Lines
    +382 -87
    Risk
    74%Elevated
  • bcdac605refactor: Move cutoffs from `NeighborList.__call__` into instance state (#147)
    Author
    Nicholas Gao
    When
    2mo ago
    Lines
    +424 -376
    Risk
    74%Elevated
  • 0c1aea87fix: Correct cell rotation direction and guard against degenerate cell hashes and image counts (#135)
    Author
    Nicholas Gao
    When
    2mo ago
    Lines
    +287 -35
    Risk
    74%Elevated
  • d56a0360refactor: Bundle integrator params into typed `IntegratorParams` dataclasses (#121)
    Author
    Nicholas Gao
    When
    2mo ago
    Lines
    +335 -151
    Risk
    74%Elevated
  • 28adce1crefactor: Adopt optax force convention in FIRE/FIRE2 transforms (#112)
    Author
    Nicholas Gao
    When
    3mo ago
    Lines
    +270 -90
    Risk
    74%Elevated
  • 25985df6refactor: Unify `kups_md_lj`/`kups_md_mlff`/`kups_relax_*` into single `kups_md`/`kups_relax` with discriminated `potential` config (#211)
    Author
    Nicholas Gao
    When
    1mo ago
    Lines
    +463 -660
    Risk
    70%Elevated
  • 9c8c6d56feat: Add `MatrixStructure` flag with `structured_matmul` and `structured_det_and_inverse` dispatch (#201)
    Author
    Nicholas Gao
    When
    1mo ago
    Lines
    +293 -1
    Risk
    70%Elevated
  • dd76033dfeat: Add `LogTriclinicFrame` with closed-form triangular matrix log/exp parameterisation (#169)
    Author
    Nicholas Gao
    When
    2mo ago
    Lines
    +259 -10
    Risk
    70%Elevated
  • f7ae1d10fix: Correct incremental GCMC exchange energies for batched Ewald and self-excluding neighbor lists (#226)
    Author
    Nicholas Gao
    When
    1mo ago
    Lines
    +304 -102
    Risk
    68%Elevated
  • f67ba293feat: Add `FrechetFrame` and `triangular_3x3_expm` for ASE-style cell relaxation (#183)
    Author
    Nicholas Gao
    When
    1mo ago
    Lines
    +250 -3
    Risk
    68%Elevated
  • 0adf00fddocs: relocate media under docs/ and add theme-aware logo (#12)
    Author
    Jonas Köhler
    When
    3mo ago
    Lines
    +279 -9
    Risk
    68%Elevated
  • 52493389fix: Enforce sorted primary keys in `Table` and add `Table.new` (#250)
    Author
    Alexander G. D. G. Matthews
    When
    1w ago
    Lines
    +193 -31
    Risk
    65%Typical
  • c914830arefactor: Replace `adaptive_cutoff_neighborlist_from_state` with `AdaptiveNeighborList` class supporting per-call cost-based dispatch (#215)
    Author
    Nicholas Gao
    When
    1mo ago
    Lines
    +338 -308
    Risk
    65%Typical
  • 15574347refactor: Compute stress via unified virial theorem, drop lattice-gradient method (#132)
    Author
    Nicholas Gao
    When
    2mo ago
    Lines
    +249 -243
    Risk
    65%Typical
  • 9cf9280cfix(neighborlist): undercount of periodic images in cell-list (#127)
    Author
    Felix Musil
    When
    2mo ago
    Lines
    +239 -3
    Risk
    65%Typical
  • ca8f694bfeat: Estimate `max_num_adsorbates` from vdW volumes, fix image-candidate replication (#164)
    Author
    Nicholas Gao
    When
    2mo ago
    Lines
    +275 -25
    Risk
    64%Typical
  • bcb7dba1feat: Add `MaterializedFrame` and `Frame.materialize` (#137)
    Author
    Nicholas Gao
    When
    2mo ago
    Lines
    +181 -0
    Risk
    62%Typical
Showing 50 of 133 commits

How the score behaves here

Change risk →

Two views of the same model: where the cuts fall, and what commit shape lands you above them.

Score distribution

Every scored commit, binned on the raw 0 to 10 score rather than the percentile. Percentile ranks are uniform by construction, so that axis has no shape to draw. The dashed lines are the tercile cuts behind each row's priority pill.

019typical ↑↑ elevated0.05.010.0Change-risk score →
Below typical
Typical
Elevated

Size against diffusion

The 133 most recent commits, on their own recency sample rather than the feed above: that defaults to risk-sorted, so reusing it would plot only the top tercile and call it the spread. Big and scattered is what the model penalises. Click a dot to open it.

1101001,00010,000Lines changed (log) →0.07.1Diffusion →
Below typical44
Typical45
Elevated44

Commit history for cusp-ai-oss/kups

cusp-ai-oss/kups has 145 commits in its history from 8 contributors, the first of them Apr 20, 2026. In the last 90 days 218 files were touched, 586 times in total, most often cell.py. Every commit is scored for change risk from its size, spread and the history of the files it touches.