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pull_request.yaml
37 workflow runs
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ASE Integration .github Pull Request Workflow #37: Pull request #20 synchronize by ryanmrichard
October 2, 2024 18:32 5m 16s ase
ase
October 2, 2024 18:32 5m 16s
ASE Integration .github Pull Request Workflow #36: Pull request #20 synchronize by jwaldrop107
October 2, 2024 18:23 2m 12s ase
ase
October 2, 2024 18:23 2m 12s
ASE Integration .github Pull Request Workflow #35: Pull request #20 synchronize by ryanmrichard
October 2, 2024 18:22 51s ase
ase
October 2, 2024 18:22 51s
ASE Integration .github Pull Request Workflow #34: Pull request #20 synchronize by ryanmrichard
October 2, 2024 17:47 2m 34s ase
ase
October 2, 2024 17:47 2m 34s
ASE Integration .github Pull Request Workflow #33: Pull request #20 synchronize by jwaldrop107
October 1, 2024 19:23 2m 21s ase
ase
October 1, 2024 19:23 2m 21s
ASE Integration .github Pull Request Workflow #32: Pull request #20 synchronize by ryanmrichard
October 1, 2024 19:22 48s ase
ase
October 1, 2024 19:22 48s
QCEngine Support Overhaul .github Pull Request Workflow #31: Pull request #19 synchronize by ryanmrichard
September 27, 2024 15:15 5m 20s qcengine_support
qcengine_support
September 27, 2024 15:15 5m 20s
QCEngine Support Overhaul .github Pull Request Workflow #30: Pull request #19 synchronize by ryanmrichard
September 27, 2024 14:56 5m 6s qcengine_support
qcengine_support
September 27, 2024 14:56 5m 6s
QCEngine Support Overhaul .github Pull Request Workflow #29: Pull request #19 synchronize by ryanmrichard
September 27, 2024 14:39 5m 26s qcengine_support
qcengine_support
September 27, 2024 14:39 5m 26s
QCEngine Support Overhaul .github Pull Request Workflow #28: Pull request #19 opened by ryanmrichard
September 26, 2024 21:06 5m 24s qcengine_support
qcengine_support
September 26, 2024 21:06 5m 24s
NWChem Gradient Interface .github Pull Request Workflow #27: Pull request #14 synchronize by ryanmrichard
June 27, 2024 15:02 4m 39s grad_mods
grad_mods
June 27, 2024 15:02 4m 39s
Adds a module for bootstrapping off of QCElemental's from_data .github Pull Request Workflow #26: Pull request #18 synchronize by jwaldrop107
June 3, 2024 18:57 4m 52s string2mol
string2mol
June 3, 2024 18:57 4m 52s
Adds a module for bootstrapping off of QCElemental's from_data .github Pull Request Workflow #25: Pull request #18 opened by ryanmrichard
June 3, 2024 18:56 59s string2mol
string2mol
June 3, 2024 18:56 59s
Update requirements.txt .github Pull Request Workflow #24: Pull request #17 opened by ryanmrichard
May 29, 2024 14:15 4m 41s ryanmrichard-patch-1
ryanmrichard-patch-1
May 29, 2024 14:15 4m 41s
Bump pydantic from 1.8.2 to 1.10.13 .github Pull Request Workflow #23: Pull request #16 opened by dependabot bot
May 29, 2024 14:13 8s dependabot/pip/pydantic-1.10.13
dependabot/pip/pydantic-1.10.13
May 29, 2024 14:13 8s
Test with Clang-14 .github Pull Request Workflow #22: Pull request #15 opened by jwaldrop107
April 26, 2024 21:41 4m 8s with_clang
with_clang
April 26, 2024 21:41 4m 8s
NWChem Gradient Interface .github Pull Request Workflow #21: Pull request #14 synchronize by jwaldrop107
April 26, 2024 16:58 4m 31s grad_mods
grad_mods
April 26, 2024 16:58 4m 31s
NWChem Gradient Interface .github Pull Request Workflow #20: Pull request #14 synchronize by kaka-zuumi
April 26, 2024 16:57 1m 3s grad_mods
grad_mods
April 26, 2024 16:57 1m 3s
NWChem Gradient Interface .github Pull Request Workflow #19: Pull request #14 synchronize by jwaldrop107
April 23, 2024 16:59 5m 2s grad_mods
grad_mods
April 23, 2024 16:59 5m 2s
NWChem Gradient Interface .github Pull Request Workflow #18: Pull request #14 opened by jwaldrop107
April 23, 2024 16:58 1m 24s grad_mods
grad_mods
April 23, 2024 16:58 1m 24s
Update Python CMake .github Pull Request Workflow #17: Pull request #13 opened by jwaldrop107
February 8, 2024 22:10 4m 32s python_update
python_update
February 8, 2024 22:10 4m 32s
CMaize Workaround .github Pull Request Workflow #16: Pull request #12 opened by ryanmrichard
February 7, 2024 19:33 4m 30s cmaize_target
cmaize_target
February 7, 2024 19:33 4m 30s
Minor Fixes .github Pull Request Workflow #15: Pull request #11 opened by jwaldrop107
February 2, 2024 20:11 4m 22s patch
patch
February 2, 2024 20:11 4m 22s
1.0 .github Pull Request Workflow #14: Pull request #10 synchronize by jwaldrop107
February 1, 2024 21:12 4m 3s toward_release
toward_release
February 1, 2024 21:12 4m 3s
1.0 .github Pull Request Workflow #13: Pull request #10 synchronize by jwaldrop107
February 1, 2024 20:15 4m 17s toward_release
toward_release
February 1, 2024 20:15 4m 17s