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Merge pull request #35 from thorben-frank/v1.0-lrs-gems CI #177: Commit 6c88d3f pushed by thorben-frank
January 22, 2025 11:22 1m 50s v1.0
v1.0
January 22, 2025 11:22 1m 50s
V1.0 lrs gems CI #176: Pull request #35 opened by thorben-frank
January 22, 2025 11:21 1m 39s v1.0-lrs-gems
v1.0-lrs-gems
January 22, 2025 11:21 1m 39s
remove id_tab CI #175: Commit 02107c2 pushed by thorben-frank
August 23, 2024 09:41 5m 36s main
main
August 23, 2024 09:41 5m 36s
change default for add_shift to False CI #174: Commit e8d59ae pushed by thorben-frank
August 23, 2024 06:56 4m 55s main
main
August 23, 2024 06:56 4m 55s
add missing dtype conversion in calculator CI #173: Commit 630f6b5 pushed by thorben-frank
August 23, 2024 06:40 4m 51s main
main
August 23, 2024 06:40 4m 51s
improve error logging in orbax checkpoint loading CI #172: Commit ba31537 pushed by thorben-frank
August 22, 2024 16:28 5m 6s main
main
August 22, 2024 16:28 5m 6s
allow to read old and new orbax checkpoints CI #171: Commit a2e394e pushed by thorben-frank
August 22, 2024 16:07 4m 50s main
main
August 22, 2024 16:07 4m 50s
add warning for MD CI #170: Commit 0b5d02e pushed by thorben-frank
August 22, 2024 12:50 5m 8s main
main
August 22, 2024 12:50 5m 8s
update params loader CI #169: Commit 39abb58 pushed by thorben-frank
August 22, 2024 12:30 4m 54s main
main
August 22, 2024 12:30 4m 54s
change relaxation default in ase to LBFGS CI #168: Commit 271541f pushed by thorben-frank
August 22, 2024 11:43 5m 13s main
main
August 22, 2024 11:43 5m 13s
mic is not needed CI #167: Commit bc901cb pushed by thorben-frank
August 22, 2024 10:38 4m 55s main
main
August 22, 2024 10:38 4m 55s
add pbc and unit cell to input data files section in readme CI #166: Commit aae21ad pushed by thorben-frank
August 21, 2024 15:54 7m 58s main
main
August 21, 2024 15:54 7m 58s
update readme 2 CI #165: Commit 8229209 pushed by thorben-frank
August 6, 2024 09:41 5m 36s main
main
August 6, 2024 09:41 5m 36s
update readme CI #164: Commit 4630f52 pushed by thorben-frank
August 6, 2024 09:35 4m 49s main
main
August 6, 2024 09:35 4m 49s
update references CI #163: Commit f97d13a pushed by thorben-frank
August 6, 2024 09:22 4m 55s main
main
August 6, 2024 09:22 4m 55s
fix orbax version CI #162: Commit a3854a2 pushed by thorben-frank
August 6, 2024 09:03 7m 58s main
main
August 6, 2024 09:03 7m 58s
swith to recommended import of jax.config in test CI #161: Commit 865531d pushed by thorben-frank
July 4, 2024 08:45 5m 0s main
main
July 4, 2024 08:45 5m 0s
import config from jax not from jax.config CI #160: Commit ecc9a6c pushed by thorben-frank
July 4, 2024 07:58 5m 37s main
main
July 4, 2024 07:58 5m 37s
update loading of params in calcualator and default total charge and … CI #159: Commit 6ae8d8b pushed by thorben-frank
June 24, 2024 08:28 7m 12s v1.0
v1.0
June 24, 2024 08:28 7m 12s
remove .to_device() calls CI #158: Commit 88e25e6 pushed by thorben-frank
June 4, 2024 12:35 6m 43s v1.0
v1.0
June 4, 2024 12:35 6m 43s
replace RuntimeWarning by logging CI #157: Commit 706fcf6 pushed by thorben-frank
April 22, 2024 09:32 7m 1s v1.0
v1.0
April 22, 2024 09:32 7m 1s
Merge pull request #28 from thorben-frank/global-displacements-in-geo… CI #156: Commit 04ebed8 pushed by thorben-frank
April 22, 2024 09:25 1m 48s v1.0
v1.0
April 22, 2024 09:25 1m 48s
add long range indices to GeometryEmbedSparse CI #155: Pull request #28 opened by thorben-frank
April 22, 2024 09:25 1m 43s global-displacements-in-geometry-embed
global-displacements-in-geometry-embed
April 22, 2024 09:25 1m 43s
bugfix finetuning, evaluation and finetuning on tf data set CI #154: Commit 0c2ff72 pushed by thorben-frank
April 9, 2024 08:50 1m 45s v1.0
v1.0
April 9, 2024 08:50 1m 45s
allow to pass optimizer args via config and bugfix ITP CI #153: Commit f2db288 pushed by thorben-frank
April 5, 2024 16:05 1m 55s v1.0
v1.0
April 5, 2024 16:05 1m 55s