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mod: include trans-rot-projector in inverse of Wilson-B mat
Python application #5375: Commit bc03360 pushed by eljost
November 7, 2024 12:21 54m 37s dev
dev
November 7, 2024 12:21 54m 37s
DMA, Local force constants, Marcus dimension
CodeQL #364: Pull request #265 synchronize by eljost
November 7, 2024 10:18 5m 19s dev
dev
November 7, 2024 10:18 5m 19s
add: RotorInfo class for more control about rotor atoms
Python application #5374: Commit 4449f1f pushed by eljost
November 7, 2024 10:18 54m 27s dev
dev
November 7, 2024 10:18 54m 27s
CodeQL
CodeQL #363: Scheduled
November 7, 2024 02:06 5m 9s master
November 7, 2024 02:06 5m 9s
Python application
Python application #5373: Scheduled
November 7, 2024 01:08 30m 44s master
November 7, 2024 01:08 30m 44s
DMA, Local force constants, Marcus dimension
CodeQL #362: Pull request #265 synchronize by eljost
November 6, 2024 19:15 5m 45s dev
dev
November 6, 2024 19:15 5m 45s
fix: don't add hydrogen_bonds that are already bonds
Python application #5372: Commit 166dfcf pushed by eljost
November 6, 2024 19:15 54m 51s dev
dev
November 6, 2024 19:15 54m 51s
DMA, Local force constants, Marcus dimension
CodeQL #361: Pull request #265 synchronize by eljost
November 6, 2024 14:29 5m 24s dev
dev
November 6, 2024 14:29 5m 24s
fix: further round of test fixes
Python application #5371: Commit 78d214a pushed by eljost
November 6, 2024 14:29 57m 10s dev
dev
November 6, 2024 14:29 57m 10s
Python application
Python application #5370: Scheduled
November 6, 2024 12:29 31m 27s master
November 6, 2024 12:29 31m 27s
Python application
Python application #5369: Scheduled
November 6, 2024 01:08 28m 55s master
November 6, 2024 01:08 28m 55s
DMA, Local force constants, Marcus dimension
CodeQL #360: Pull request #265 synchronize by eljost
November 5, 2024 14:08 5m 25s dev
dev
November 5, 2024 14:08 5m 25s
mod: run pytest w/ --color=yes in github actions
Python application #5368: Commit ca7b83d pushed by eljost
November 5, 2024 14:08 55m 22s dev
dev
November 5, 2024 14:08 55m 22s
DMA, Local force constants, Marcus dimension
CodeQL #359: Pull request #265 synchronize by eljost
November 5, 2024 14:05 5m 51s dev
dev
November 5, 2024 14:05 5m 51s
mod: run pytest w/ --color=yes in github actions
Python application #5367: Commit bc3d501 pushed by eljost
November 5, 2024 14:05 1m 45s dev
dev
November 5, 2024 14:05 1m 45s
DMA, Local force constants, Marcus dimension
CodeQL #358: Pull request #265 synchronize by eljost
November 5, 2024 13:44 5m 36s dev
dev
November 5, 2024 13:44 5m 36s
mod: filter out eigenvectors w/ vanishing gradient
Python application #5366: Commit 4947378 pushed by eljost
November 5, 2024 13:44 55m 56s dev
dev
November 5, 2024 13:44 55m 56s
Python application
Python application #5365: Scheduled
November 5, 2024 12:27 29m 58s master
November 5, 2024 12:27 29m 58s
Python application
Python application #5364: Scheduled
November 5, 2024 01:08 30m 23s master
November 5, 2024 01:08 30m 23s
DMA, Local force constants, Marcus dimension
CodeQL #357: Pull request #265 synchronize by eljost
November 4, 2024 15:42 5m 52s dev
dev
November 4, 2024 15:42 5m 52s
fix: fragmentation for hr with > 2 initial fragments
Python application #5363: Commit 5390754 pushed by eljost
November 4, 2024 15:42 55m 39s dev
dev
November 4, 2024 15:42 55m 39s
Python application
Python application #5362: Scheduled
November 4, 2024 12:30 30m 38s master
November 4, 2024 12:30 30m 38s
Python application
Python application #5361: Scheduled
November 4, 2024 01:11 30m 54s master
November 4, 2024 01:11 30m 54s
Python application
Python application #5360: Scheduled
November 3, 2024 12:26 30m 0s master
November 3, 2024 12:26 30m 0s
Python application
Python application #5359: Scheduled
November 3, 2024 01:14 30m 36s master
November 3, 2024 01:14 30m 36s