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Improve readability of ASE calculator code
Python tests #1785: Pull request #678 opened by frostedoyster
July 6, 2024 06:18 15m 38s ase-calculator-readability
July 6, 2024 06:18 15m 38s
Fix documentation for printing ModelMetadata
Python tests #1784: Pull request #674 synchronize by frostedoyster
July 5, 2024 19:05 15m 44s metadata-print
July 5, 2024 19:05 15m 44s
Fix documentation for printing ModelMetadata
Python tests #1783: Pull request #674 synchronize by frostedoyster
July 5, 2024 18:57 7m 15s metadata-print
July 5, 2024 18:57 7m 15s
Fix documentation for printing ModelMetadata
Python tests #1782: Pull request #674 synchronize by frostedoyster
July 5, 2024 18:55 3m 2s metadata-print
July 5, 2024 18:55 3m 2s
Add OpenMM-torch interface
Python tests #1781: Pull request #664 synchronize by frostedoyster
July 5, 2024 09:51 16m 7s openmm
July 5, 2024 09:51 16m 7s
Add OpenMM-torch interface
Python tests #1780: Pull request #664 synchronize by frostedoyster
July 5, 2024 09:38 8m 7s openmm
July 5, 2024 09:38 8m 7s
Do not use transpose in ASE calculator
Python tests #1779: Commit ee417ab pushed by Luthaf
July 5, 2024 09:30 31m 31s master
July 5, 2024 09:30 31m 31s
Correct wrong return type hint in ASE calculator
Python tests #1778: Commit 03ddc96 pushed by Luthaf
July 5, 2024 09:29 15m 29s master
July 5, 2024 09:29 15m 29s
Do not use transpose in ASE calculator
Python tests #1777: Pull request #676 opened by frostedoyster
July 5, 2024 09:00 16m 34s ase-calculator-transpose
July 5, 2024 09:00 16m 34s
Correct wrong return type hint in ASE calculator
Python tests #1776: Pull request #675 opened by frostedoyster
July 5, 2024 08:49 16m 25s ase-calculator-type-hint
July 5, 2024 08:49 16m 25s
Add OpenMM-torch interface
Python tests #1775: Pull request #664 synchronize by frostedoyster
July 5, 2024 06:43 8m 8s openmm
July 5, 2024 06:43 8m 8s
Fix documentation for printing ModelMetadata
Python tests #1774: Pull request #674 opened by frostedoyster
July 5, 2024 06:42 8m 16s metadata-print
July 5, 2024 06:42 8m 16s
Add OpenMM-torch interface
Python tests #1773: Pull request #664 synchronize by frostedoyster
July 5, 2024 06:33 10m 19s openmm
July 5, 2024 06:33 10m 19s
Implementations of is_contiguous and make_contiguous
Python tests #1772: Pull request #522 synchronize by Luthaf
July 4, 2024 13:49 18m 39s contig
July 4, 2024 13:49 18m 39s
Serialization for System
Python tests #1771: Pull request #673 synchronize by frostedoyster
July 4, 2024 12:26 18m 41s system-serialize
July 4, 2024 12:26 18m 41s
Serialization for System
Python tests #1770: Pull request #673 synchronize by frostedoyster
July 4, 2024 12:08 6m 51s system-serialize
July 4, 2024 12:08 6m 51s
Allow loading npz files which use DEFLATE compression
Python tests #1769: Commit b7c42f0 pushed by Luthaf
July 4, 2024 10:11 15m 54s master
July 4, 2024 10:11 15m 54s
Serialization for System
Python tests #1768: Pull request #673 opened by frostedoyster
July 4, 2024 09:27 16m 26s system-serialize
July 4, 2024 09:27 16m 26s
Implementations of is_contiguous and make_contiguous
Python tests #1767: Pull request #522 synchronize by Luthaf
July 3, 2024 15:04 17m 55s contig
July 3, 2024 15:04 17m 55s
Implementations of is_contiguous and make_contiguous
Python tests #1766: Pull request #522 synchronize by Luthaf
July 3, 2024 14:52 11m 50s contig
July 3, 2024 14:52 11m 50s
Allow loading npz files which use DEFLATE compression
Python tests #1765: Pull request #671 synchronize by Luthaf
July 3, 2024 13:50 16m 14s Luthaf:read-deflate-npz
July 3, 2024 13:50 16m 14s
Use the same defaul precision as torch.gradcheck
Python tests #1764: Commit 2783dd8 pushed by Luthaf
July 3, 2024 13:38 15m 2s master
July 3, 2024 13:38 15m 2s
Actually use MinGW on CI
Python tests #1763: Pull request #643 synchronize by Luthaf
July 3, 2024 12:37 16m 8s Luthaf:actual-mingw-ci
July 3, 2024 12:37 16m 8s
Actually use MinGW on CI
Python tests #1762: Pull request #643 synchronize by Luthaf
July 3, 2024 12:30 7m 27s Luthaf:actual-mingw-ci
July 3, 2024 12:30 7m 27s
Use a fixed seed for finite differences tests
Python tests #1761: Pull request #672 synchronize by Luthaf
July 3, 2024 12:12 15m 49s Luthaf:finite-diff-set-seed
July 3, 2024 12:12 15m 49s