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Add yml file for pypi workflow, change dependencies to PyPI releases Build docs #137: Pull request #305 synchronize by hheenen
May 17, 2024 08:13 3m 4s hheenen:publish_to_PyPI
hheenen:publish_to_PyPI
May 17, 2024 08:13 3m 4s
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
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
moved_matplotlib_cmap
May 16, 2024 18:35 3m 8s
Add yml file for pypi workflow, change dependencies to PyPI releases Build docs #134: Pull request #305 synchronize by hheenen
May 16, 2024 18:18 3m 0s hheenen:publish_to_PyPI
hheenen:publish_to_PyPI
May 16, 2024 18:18 3m 0s
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
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
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
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
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
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
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
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
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
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
main
March 14, 2024 00:45 3m 20s
MACE fit fix handling of path for foundations_model when workdir is used Build docs #122: Pull request #300 opened by bernstei
March 13, 2024 17:51 2m 58s mace_foundations_path
mace_foundations_path
March 13, 2024 17:51 2m 58s
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
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
docs_CI_2
March 7, 2024 14:55 3m 27s
Fix github CI workflow that generates docs Build docs #119: Pull request #298 opened by bernstei
March 7, 2024 14:47 3m 9s docs_CI_2
docs_CI_2
March 7, 2024 14:47 3m 9s
Merge pull request #297 from libAtoms/docs_CI Build docs #118: Commit 47752b6 pushed by bernstei
March 7, 2024 14:39 47s main
main
March 7, 2024 14:39 47s
Merge pull request #294 from libAtoms/espresso_remote_job_test Build docs #117: Commit ffaddfa pushed by bernstei
March 6, 2024 20:44 55s main
main
March 6, 2024 20:44 55s
Increment version after addition of ase.generate.neb. Build docs #116: Commit bf887a6 pushed by bernstei
March 5, 2024 19:04 3m 10s main
main
March 5, 2024 19:04 3m 10s
Merge pull request #296 from jungsdao/neb Build docs #115: Commit a20b355 pushed by bernstei
March 5, 2024 19:01 2m 2s main
main
March 5, 2024 19:01 2m 2s
Merge pull request #293 from libAtoms/fast_groups_iter Build docs #114: Commit d667adb pushed by bernstei
February 20, 2024 19:42 1m 44s main
main
February 20, 2024 19:42 1m 44s
Merge pull request #292 from libAtoms/dft_SCF_convergence_status Build docs #113: Commit 5b6a5ea pushed by bernstei
February 8, 2024 20:09 1m 57s main
main
February 8, 2024 20:09 1m 57s
Merge pull request #288 from libAtoms/fix_group_iter Build docs #112: Commit 2b95c14 pushed by bernstei
February 1, 2024 00:38 1m 59s main
main
February 1, 2024 00:38 1m 59s