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missing charge/spin test txt-file
Python Package with caching #646: Commit 69f67f7 pushed by YAY-C
December 6, 2024 11:41 2m 36s small-fixes
December 6, 2024 11:41 2m 36s
small-fixes
Python Package with caching #645: Pull request #72 synchronize by YAY-C
December 6, 2024 11:35 2m 43s small-fixes
December 6, 2024 11:35 2m 43s
spin/charge loader for .txt file only
Python Package with caching #644: Commit 049ddb1 pushed by YAY-C
December 6, 2024 11:35 2m 32s small-fixes
December 6, 2024 11:35 2m 32s
Python Package with caching
Python Package with caching #643: Scheduled
December 2, 2024 00:45 6m 8s master
December 2, 2024 00:45 6m 8s
Rename metatensor labels for compatibility with featomic
Python Package with caching #642: Commit 1cbc8db pushed by briling
November 29, 2024 13:50 1m 53s mstack
November 29, 2024 13:50 1m 53s
Update pyscf version in env file
Python Package with caching #641: Commit 7fd9f97 pushed by briling
November 29, 2024 11:43 6m 10s mstack
November 29, 2024 11:43 6m 10s
Merge pull request #52 from lcmd-epfl/add-orca-gbw
Python Package with caching #640: Commit 3f3d3bb pushed by briling
November 29, 2024 11:12 6m 6s mstack
November 29, 2024 11:12 6m 6s
Python Package with caching
Python Package with caching #639: Scheduled
November 25, 2024 00:43 6m 1s master
November 25, 2024 00:43 6m 1s
small-fixes
Python Package with caching #638: Pull request #72 synchronize by YAY-C
November 18, 2024 14:24 2m 11s small-fixes
November 18, 2024 14:24 2m 11s
Merge branch 'master' into small-fixes
Python Package with caching #637: Commit 80b18b4 pushed by YAY-C
November 18, 2024 14:24 2m 15s small-fixes
November 18, 2024 14:24 2m 15s
Python Package with caching
Python Package with caching #636: Scheduled
November 18, 2024 00:43 6m 30s master
November 18, 2024 00:43 6m 30s
Python Package with caching
Python Package with caching #635: Scheduled
November 11, 2024 00:40 6m 3s master
November 11, 2024 00:40 6m 3s
Python Package with caching
Python Package with caching #634: Scheduled
November 4, 2024 00:41 6m 10s master
November 4, 2024 00:41 6m 10s
Python Package with caching
Python Package with caching #633: Scheduled
October 28, 2024 00:42 6m 4s master
October 28, 2024 00:42 6m 4s
small-fixes
Python Package with caching #632: Pull request #72 synchronize by YAY-C
October 23, 2024 14:28 6m 3s small-fixes
October 23, 2024 14:28 6m 3s
remove unnecessary squeeze()
Python Package with caching #631: Commit ca8b08b pushed by YAY-C
October 23, 2024 14:28 6m 49s small-fixes
October 23, 2024 14:28 6m 49s
add cosine similarity kernel (from scikit-learn)
Python Package with caching #630: Commit d5820e7 pushed by YAY-C
October 23, 2024 14:27 1m 49s add_cosine
October 23, 2024 14:27 1m 49s
Python Package with caching
Python Package with caching #629: Scheduled
October 21, 2024 00:41 6m 0s master
October 21, 2024 00:41 6m 0s
Python Package with caching
Python Package with caching #628: Scheduled
October 14, 2024 00:41 5m 53s master
October 14, 2024 00:41 5m 53s
Python Package with caching
Python Package with caching #627: Scheduled
October 7, 2024 00:41 5m 52s master
October 7, 2024 00:41 5m 52s
Python Package with caching
Python Package with caching #626: Scheduled
September 30, 2024 00:41 5m 57s master
September 30, 2024 00:41 5m 57s
Spahm in field
Python Package with caching #625: Pull request #75 synchronize by briling
September 27, 2024 13:05 1m 50s spahm-field
September 27, 2024 13:05 1m 50s
Clarify that field is in atomic units
Python Package with caching #624: Commit ed5cc6c pushed by briling
September 27, 2024 13:05 1m 33s spahm-field
September 27, 2024 13:05 1m 33s
Spahm in field
Python Package with caching #623: Pull request #75 synchronize by briling
September 27, 2024 12:51 1m 39s spahm-field
September 27, 2024 12:51 1m 39s
Return repr along with the grad; update docs
Python Package with caching #622: Commit 49babe1 pushed by briling
September 27, 2024 12:51 1m 36s spahm-field
September 27, 2024 12:51 1m 36s