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Transition to pymatgen VASP input sets testing #4207: Pull request #854 synchronize by esoteric-ephemera
July 19, 2024 18:27 18m 35s esoteric-ephemera:pmg
esoteric-ephemera:pmg
July 19, 2024 18:27 18m 35s
Implementation to adjust get_supercell_size to also generate orthorhombic supercells testing #4206: Pull request #923 opened by QuantumChemist
July 19, 2024 17:45 16m 44s QuantumChemist:adjust_get_supercell_size
QuantumChemist:adjust_get_supercell_size
July 19, 2024 17:45 16m 44s
Atomate2 OpenMM integration & broader classical MD framework testing #4205: Pull request #782 synchronize by orionarcher
July 19, 2024 17:18 9m 6s orionarcher:openff
orionarcher:openff
July 19, 2024 17:18 9m 6s
Atomate2 OpenMM integration & broader classical MD framework testing #4204: Pull request #782 synchronize by orionarcher
July 19, 2024 17:02 10m 33s orionarcher:openff
orionarcher:openff
July 19, 2024 17:02 10m 33s
Anharmonicity Quantification workflow testing #4203: Pull request #901 synchronize by 4kevinbeck5
July 19, 2024 17:01 20m 10s tpurcell90:anharm_quant_cp
tpurcell90:anharm_quant_cp
July 19, 2024 17:01 20m 10s
Transition to pymatgen VASP input sets testing #4201: Pull request #854 synchronize by esoteric-ephemera
July 19, 2024 16:58 18m 41s esoteric-ephemera:pmg
esoteric-ephemera:pmg
July 19, 2024 16:58 18m 41s
Anharmonicity Quantification workflow testing #4200: Pull request #901 synchronize by tpurcell90
July 19, 2024 14:36 19m 56s tpurcell90:anharm_quant_cp
tpurcell90:anharm_quant_cp
July 19, 2024 14:36 19m 56s
Including VASP surface adsorption flow testing #4199: Pull request #691 synchronize by itsduowang
July 18, 2024 16:32 18m 3s itsduowang:add_adsorption
itsduowang:add_adsorption
July 18, 2024 16:32 18m 3s
[WIP] Documentation update (#850) testing #4195: Commit a9e5ede pushed by utf
July 18, 2024 15:53 19m 40s main
main
July 18, 2024 15:53 19m 40s
Defect: Allow bulk SC calculation to be skipped. (#742) testing #4194: Commit 7b719e5 pushed by utf
July 18, 2024 15:50 21m 12s main
main
July 18, 2024 15:50 21m 12s
Migrate CI from pip to uv testing #4193: Pull request #831 synchronize by utf
July 18, 2024 15:49 3m 3s uv
uv
July 18, 2024 15:49 3m 3s
Bump monty from 2024.5.24 to 2024.7.12 testing #4192: Pull request #920 synchronize by utf
July 18, 2024 15:48 16m 47s dependabot/pip/monty-2024.7.12
dependabot/pip/monty-2024.7.12
July 18, 2024 15:48 16m 47s
Bump torch from 2.2.1 to 2.3.1 testing #4191: Pull request #880 synchronize by utf
July 18, 2024 15:46 1m 27s dependabot/pip/torch-2.3.1
dependabot/pip/torch-2.3.1
July 18, 2024 15:46 1m 27s
Bump pytest from 8.0.2 to 8.2.2 testing #4190: Pull request #878 synchronize by utf
July 18, 2024 15:45 17m 49s dependabot/pip/pytest-8.2.2
dependabot/pip/pytest-8.2.2
July 18, 2024 15:45 17m 49s
add additional fields as kwargs to PhononBSDOSDoc (#910) testing #4189: Commit e945136 pushed by utf
July 18, 2024 15:45 18m 43s main
main
July 18, 2024 15:45 18m 43s
fix CP2K TaskDocument (#900) testing #4188: Commit 47d5acc pushed by utf
July 18, 2024 15:44 21m 4s main
main
July 18, 2024 15:44 21m 4s
Added NEP MLIP relax, static, and MD makers (#893) testing #4187: Commit 1118986 pushed by utf
July 18, 2024 15:37 21m 18s main
main
July 18, 2024 15:37 21m 18s
Merge branch 'main' of github.com:materialsproject/atomate2 testing #4186: Commit 58f8b9a pushed by utf
July 18, 2024 15:36 22m 27s main
main
July 18, 2024 15:36 22m 27s
Transition to pymatgen VASP input sets testing #4185: Pull request #854 synchronize by esoteric-ephemera
July 18, 2024 15:33 23m 17s esoteric-ephemera:pmg
esoteric-ephemera:pmg
July 18, 2024 15:33 23m 17s
Tutorial for blob storage with test (#776) testing #4184: Commit 42cae12 pushed by utf
July 18, 2024 15:31 21m 42s main
main
July 18, 2024 15:31 21m 42s
Auto-update pre-commit hooks testing #4183: Pull request #849 synchronize by utf
July 18, 2024 15:30 18m 7s update/pre-commit-hooks
update/pre-commit-hooks
July 18, 2024 15:30 18m 7s
[WIP] Documentation update testing #4182: Pull request #850 synchronize by utf
July 18, 2024 15:29 23m 38s AntObi:documentation_update
AntObi:documentation_update
July 18, 2024 15:29 23m 38s
Add elastic workflow for FHI-aims (#871) testing #4181: Commit aaa1f7b pushed by utf
July 18, 2024 15:28 18m 13s main
main
July 18, 2024 15:28 18m 13s
Writing tutorial for high level overview of atomate2 concepts. (#757) testing #4180: Commit 99104ac pushed by utf
July 18, 2024 15:22 19m 59s main
main
July 18, 2024 15:22 19m 59s
Tutorial for blob storage with test testing #4179: Pull request #776 synchronize by utf
July 18, 2024 15:13 18m 8s jmmshn:tut
jmmshn:tut
July 18, 2024 15:13 18m 8s
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