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do all of mace fit work in workdir
Build docs #145: Pull request #309 opened by bernstei
May 20, 2024 14:21 3m 17s mace_fit_scratch_in_workdir
May 20, 2024 14:21 3m 17s
Increment version to avoid pypi duplication
Build docs #144: Commit d2899b7 pushed by bernstei
May 19, 2024 00:32 3m 46s main
May 19, 2024 00:32 3m 46s
Switch pyproject ase dependency to 3.22.1, even though actually need …
Build docs #143: Commit ca1abdd pushed by bernstei
May 19, 2024 00:30 4m 22s main
May 19, 2024 00:30 4m 22s
setup.py -> pyproject.toml
Build docs #142: Commit a316f42 pushed by bernstei
May 19, 2024 00:19 6m 0s main
May 19, 2024 00:19 6m 0s
Merge pull request #308 from hheenen/add_License_GPLv2
Build docs #141: Commit adc3555 pushed by bernstei
May 17, 2024 21:38 3m 5s main
May 17, 2024 21:38 3m 5s
add standard GPLv2 license
Build docs #140: Pull request #308 opened by hheenen
May 17, 2024 21:35 3m 25s hheenen:add_License_GPLv2
May 17, 2024 21:35 3m 25s
Merge pull request #307 from hheenen/publish_to_PyPI_2
Build docs #139: Commit a8af7ca pushed by bernstei
May 17, 2024 16:58 3m 9s main
May 17, 2024 16:58 3m 9s
Merge pull request #306 from libAtoms/moved_matplotlib_cmap
Build docs #136: Commit 37f115d pushed by bernstei
May 17, 2024 01:40 4m 8s main
May 17, 2024 01:40 4m 8s
CI test fails to import get_cmap
Build docs #135: Pull request #306 opened by bernstei
May 16, 2024 18:35 3m 8s moved_matplotlib_cmap
May 16, 2024 18:35 3m 8s
tag v0.2.4, in particular for FixSymmery fix
Build docs #132: Commit bc1e415 pushed by bernstei
April 25, 2024 14:57 3m 5s main
April 25, 2024 14:57 3m 5s
Merge pull request #303 from libAtoms/cli_eval_kwargs
Build docs #131: Commit 9526496 pushed by bernstei
April 25, 2024 14:55 3m 12s main
April 25, 2024 14:55 3m 12s
enable additional kwargs for "wfl eval <potential> ..."
Build docs #130: Pull request #303 synchronize by bernstei
April 25, 2024 13:54 3m 9s cli_eval_kwargs
April 25, 2024 13:54 3m 9s
enable additional kwargs for "wfl eval <potential> ..."
Build docs #129: Pull request #303 synchronize by bernstei
April 25, 2024 12:57 3m 37s cli_eval_kwargs
April 25, 2024 12:57 3m 37s
enable additional kwargs for "wfl eval <potential> ..."
Build docs #128: Pull request #303 opened by bernstei
April 25, 2024 00:02 3m 13s cli_eval_kwargs
April 25, 2024 00:02 3m 13s
Merge pull request #302 from libAtoms/mace_model_paths
Build docs #127: Commit d493fa8 pushed by bernstei
April 16, 2024 16:23 3m 53s main
April 16, 2024 16:23 3m 53s
wfl cli MACECalculator update
Build docs #126: Pull request #302 opened by bernstei
April 16, 2024 15:02 5m 56s mace_model_paths
April 16, 2024 15:02 5m 56s
Merge pull request #301 from libAtoms/abort_low_energy
Build docs #125: Commit 8b861c6 pushed by bernstei
April 4, 2024 17:55 3m 18s main
April 4, 2024 17:55 3m 18s
Check and exit when MD energy drops too much
Build docs #124: Pull request #301 opened by bernstei
April 4, 2024 15:26 3m 20s abort_low_energy
April 4, 2024 15:26 3m 20s
Merge pull request #300 from libAtoms/mace_foundations_path
Build docs #123: Commit 5037fca pushed by bernstei
March 14, 2024 00:45 3m 20s main
March 14, 2024 00:45 3m 20s
Merge pull request #298 from libAtoms/docs_CI_2
Build docs #121: Commit 57ff6c0 pushed by bernstei
March 7, 2024 17:17 3m 32s main
March 7, 2024 17:17 3m 32s
Fix github CI workflow that generates docs
Build docs #120: Pull request #298 synchronize by bernstei
March 7, 2024 14:55 3m 27s docs_CI_2
March 7, 2024 14:55 3m 27s