Skip to content

Actions: pyscf/pyscf

Actions

All workflows

Actions

Loading...
Loading

Showing runs from all workflows
1,312 workflow runs
1,312 workflow runs

Filter by Event

Filter by Status

Filter by Branch

Filter by Actor

Allow QMMM gradient for MM point charges, not just Gaussian charges Lint #2858: Pull request #2959 opened by henryw7
55s henryw7:qmmm_mmgradient_bugfix
henryw7:qmmm_mmgradient_bugfix
55s
Fix a SMD solvent model interface bug (fix #2954) Lint #2855: Commit a2a8b8b pushed by sunqm
53s master
master
53s
Fix a SMD solvent model interface bug (fix #2954) CI #3199: Commit a2a8b8b pushed by sunqm
2h 18m 11s master
master
2h 18m 11s
Fix a SMD solvent model interface bug (fix #2954) CI #3198: Pull request #2955 opened by sunqm
2h 18m 44s sunqm:2954
sunqm:2954
2h 18m 44s
Fix a SMD solvent model interface bug (fix #2954) Lint #2854: Pull request #2955 opened by sunqm
54s sunqm:2954
sunqm:2954
54s
add MC25 functional parameters; add reference for MC23 CI #3197: Commit 806c911 pushed by sunqm
2h 18m 50s master
master
2h 18m 50s
add MC25 functional parameters; add reference for MC23 Lint #2853: Commit 806c911 pushed by sunqm
54s master
master
54s
MC25 functional parameters CI #3196: Pull request #2952 opened by Dayou-Zhang
2h 19m 40s Dayou-Zhang:MC25
Dayou-Zhang:MC25
2h 19m 40s
MC25 functional parameters Lint #2852: Pull request #2952 opened by Dayou-Zhang
49s Dayou-Zhang:MC25
Dayou-Zhang:MC25
49s
Fix inconsistencies in get_coulG and super_cell between supercell and k-point calculations CI #3195: Pull request #2946 opened by sunqm
2h 37m 29s sunqm:Gv-wrap-around
sunqm:Gv-wrap-around
2h 37m 29s
Fix inconsistencies in get_coulG and super_cell between supercell and k-point calculations Lint #2851: Pull request #2946 opened by sunqm
50s sunqm:Gv-wrap-around
sunqm:Gv-wrap-around
50s
Small bug fix (#2944) Lint #2850: Commit 6f9d939 pushed by sunqm
50s master
master
50s
Small bug fix (#2944) CI #3194: Commit 6f9d939 pushed by sunqm
2h 19m 24s master
master
2h 19m 24s
Small bug fix Lint #2849: Pull request #2944 synchronize by JangidBhavnesh
52s JangidBhavnesh:master
JangidBhavnesh:master
52s
Small bug fix CI #3193: Pull request #2944 synchronize by JangidBhavnesh
2h 17m 54s JangidBhavnesh:master
JangidBhavnesh:master
2h 17m 54s
Remove the misleading warning exp_to_discard Lint #2848: Commit e8b8e08 pushed by sunqm
50s master
master
50s
Remove the misleading warning exp_to_discard CI #3192: Commit e8b8e08 pushed by sunqm
2h 17m 55s master
master
2h 17m 55s
Small bug fix Lint #2847: Pull request #2944 synchronize by JangidBhavnesh
56s JangidBhavnesh:master
JangidBhavnesh:master
56s
Small bug fix CI #3191: Pull request #2944 synchronize by JangidBhavnesh
2h 25m 47s JangidBhavnesh:master
JangidBhavnesh:master
2h 25m 47s
Update the default libcint version Lint #2846: Commit e6e5b75 pushed by sunqm
53s master
master
53s
Update the default libcint version CI #3190: Commit e6e5b75 pushed by sunqm
2h 18m 32s master
master
2h 18m 32s
Dump chkfile for 1e system (fix #2912) CI #3189: Commit ca343ce pushed by sunqm
2h 21m 40s master
master
2h 21m 40s
Dump chkfile for 1e system (fix #2912) Lint #2845: Commit ca343ce pushed by sunqm
51s master
master
51s
Small bug fix Lint #2844: Pull request #2944 opened by JangidBhavnesh
1m 5s JangidBhavnesh:master
JangidBhavnesh:master
1m 5s
Small bug fix CI #3188: Pull request #2944 opened by JangidBhavnesh
2h 20m 24s JangidBhavnesh:master
JangidBhavnesh:master
2h 20m 24s