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Corrections to NIST dataset
pytest #289: Pull request #142 synchronize by gabrielasd
March 4, 2025 20:24 1m 26s fix_nist
March 4, 2025 20:24 1m 26s
Improved argument parsing and error handling in __main__.py
pytest #288: Pull request #140 synchronize by SophiaLi20
March 4, 2025 17:08 Action required SophiaLi20:master
March 4, 2025 17:08 Action required
Add zero-electron species to gaussian dataset (#138)
pytest #287: Commit a557cb6 pushed by msricher
March 3, 2025 14:15 1m 6s master
March 3, 2025 14:15 1m 6s
Improved argument parsing and error handling in __main__.py
pytest #286: Pull request #140 synchronize by SophiaLi20
February 28, 2025 15:13 Action required SophiaLi20:master
February 28, 2025 15:13 Action required
Corrections to NIST dataset
pytest #285: Pull request #142 opened by gabrielasd
February 26, 2025 22:36 59s fix_nist
February 26, 2025 22:36 59s
Add zero-electron species to gaussian dataset
pytest #284: Pull request #138 synchronize by msricher
February 11, 2025 18:48 1m 5s zero-electron
February 11, 2025 18:48 1m 5s
Add zero-electron species to gaussian dataset
pytest #283: Pull request #138 synchronize by gabrielasd
February 11, 2025 18:26 51s zero-electron
February 11, 2025 18:26 51s
Merge pull request #139 from theochem/fix_slater
pytest #281: Commit d23ec4d pushed by marco-2023
December 28, 2024 19:55 1m 7s master
December 28, 2024 19:55 1m 7s
Fix slater ked
pytest #280: Pull request #139 opened by marco-2023
December 25, 2024 08:47 1m 21s fix_slater
December 25, 2024 08:47 1m 21s
Merge pull request #131 from theochem/add_laplacian
pytest #279: Commit 89b38d4 pushed by marco-2023
December 21, 2024 07:32 1m 5s master
December 21, 2024 07:32 1m 5s
Laplacian method for Species class
pytest #278: Pull request #131 synchronize by marco-2023
December 21, 2024 07:28 1m 9s add_laplacian
December 21, 2024 07:28 1m 9s
Add zero-electron species to gaussian dataset
pytest #277: Pull request #138 opened by msricher
December 17, 2024 18:04 56s zero-electron
December 17, 2024 18:04 56s
Fix log density spline extrapolation (#133)
pytest #276: Commit b742618 pushed by msricher
December 17, 2024 15:27 1m 28s master
December 17, 2024 15:27 1m 28s
Fix log density spline extrapolation
pytest #275: Pull request #133 synchronize by msricher
December 17, 2024 15:24 1m 43s msricher:fix_extrapolate
December 17, 2024 15:24 1m 43s
Fix log density spline extrapolation
pytest #274: Pull request #133 synchronize by msricher
December 17, 2024 15:21 1m 36s msricher:fix_extrapolate
December 17, 2024 15:21 1m 36s
Laplacian method for Species class
pytest #273: Pull request #131 synchronize by gabrielasd
December 16, 2024 21:25 1m 18s add_laplacian
December 16, 2024 21:25 1m 18s
Fix log density spline extrapolation
pytest #272: Pull request #133 synchronize by msricher
December 16, 2024 15:19 1m 34s msricher:fix_extrapolate
December 16, 2024 15:19 1m 34s
Fix log density spline extrapolation
pytest #271: Pull request #133 synchronize by msricher
December 16, 2024 15:09 1m 12s msricher:fix_extrapolate
December 16, 2024 15:09 1m 12s
Support promolecules with single atom (#135)
pytest #270: Commit 511a702 pushed by msricher
December 16, 2024 15:07 1m 37s master
December 16, 2024 15:07 1m 37s
Support promolecules with single atom
pytest #269: Pull request #135 synchronize by FanwangM
December 15, 2024 02:31 1m 22s promol_one_atom
December 15, 2024 02:31 1m 22s
Attempt to fix the failing error
pytest #268: Pull request #137 opened by FanwangM
December 15, 2024 01:33 1m 23s promol_one_atom2
December 15, 2024 01:33 1m 23s
Support promolecules with single atom
pytest #267: Pull request #135 synchronize by msricher
December 11, 2024 19:00 1m 15s promol_one_atom
December 11, 2024 19:00 1m 15s
Support promolecules with single atom
pytest #266: Pull request #135 synchronize by msricher
December 10, 2024 16:29 1m 23s promol_one_atom
December 10, 2024 16:29 1m 23s
Support promolecules with single atom
pytest #265: Pull request #135 opened by msricher
December 9, 2024 14:15 1m 16s promol_one_atom
December 9, 2024 14:15 1m 16s
Fix log density spline extrapolation
pytest #264: Pull request #133 opened by msricher
December 8, 2024 05:05 1m 16s msricher:fix_extrapolate
December 8, 2024 05:05 1m 16s