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Merge pull request #148 from lcmd-epfl/fixes Lint with Ruff #253: Commit c9df0aa pushed by briling
21s master
master
21s
Read xyz containing several structures Lint with Ruff #252: Commit 8e004e6 pushed by briling
22s add-old-functions
add-old-functions
22s
Fixes Lint with Ruff #251: Pull request #148 synchronize by briling
1s fixes
fixes
1s
Adapt metatensor converters to ml-density Lint with Ruff #250: Commit b28674b pushed by briling
18s fixes
fixes
18s
Fixes Lint with Ruff #249: Pull request #148 opened by briling
1s fixes
fixes
1s
Adapt metatensor converters to ml-density Lint with Ruff #248: Commit d5ac511 pushed by briling
19s fixes
fixes
19s
Treat input indices as np arrays Lint with Ruff #247: Commit 4449eac pushed by briling
18s sparse-regression
sparse-regression
18s
Treat input indices as np arrays Lint with Ruff #246: Commit b28839f pushed by briling
17s sparse-regression
sparse-regression
17s
Read xyz containing several structures Lint with Ruff #245: Commit 04ebd55 pushed by briling
16s add-old-functions
add-old-functions
16s
Merge pull request #147 from lcmd-epfl/psi4-orbitals Lint with Ruff #244: Commit a1b2d8b pushed by briling
15s master
master
15s
add psi4 to orbital ordering styles Lint with Ruff #243: Pull request #147 synchronize by liam-o-marsh
1s psi4-orbitals
psi4-orbitals
1s
add psi4 example Lint with Ruff #242: Commit 38715d7 pushed by liam-o-marsh
19s psi4-orbitals
psi4-orbitals
19s
add psi4 to orbital ordering styles Lint with Ruff #241: Pull request #147 opened by liam-o-marsh
1s psi4-orbitals
psi4-orbitals
1s
overhaul RDM2-rep eval for faster execution in low-ram environments Lint with Ruff #240: Commit eddc87b pushed by liam-o-marsh
24s RDM2rep-field
RDM2rep-field
24s
make dori extraction runnable Lint with Ruff #239: Commit 35cfac1 pushed by liam-o-marsh
30s dori-field
dori-field
30s
add psi4 to orbital ordering styles Lint with Ruff #238: Commit b21f8fb pushed by liam-o-marsh
20s psi4-orbitals
psi4-orbitals
20s
add lcmd_db interface Lint with Ruff #237: Pull request #145 synchronize by YAY-C
1s lcmd-db
lcmd-db
1s
add test for SMARTS-based query (in dataset) Lint with Ruff #236: Commit ac33bf8 pushed by YAY-C
15s lcmd-db
lcmd-db
15s
add lcmd_db interface Lint with Ruff #235: Pull request #145 synchronize by YAY-C
2s lcmd-db
lcmd-db
2s
fixes 6d4ed20 lint-checks Lint with Ruff #234: Commit 2e8d9d4 pushed by YAY-C
21s lcmd-db
lcmd-db
21s
add lcmd_db interface Lint with Ruff #233: Pull request #145 opened by YAY-C
3s lcmd-db
lcmd-db
3s
made test for lcmd_db dataset and mol imports Lint with Ruff #232: Commit 6d4ed20 pushed by YAY-C
18s lcmd-db
lcmd-db
18s
added lcmd_db package to project and envs Lint with Ruff #231: Commit 9c705bd pushed by YAY-C
24s lcmd-db
lcmd-db
24s
Better (much faster) basis opt Lint with Ruff #230: Pull request #143 opened by liam-o-marsh
1s better_basis_opt
better_basis_opt
1s
chore: make ruff happy Lint with Ruff #229: Commit 8084acd pushed by liam-o-marsh
17s better_basis_opt
better_basis_opt
17s