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Allow QMMM gradient for MM point charges, not just Gaussian charges Lint #2860: Pull request #2959 synchronize by sunqm
53s henryw7:qmmm_mmgradient_bugfix
henryw7:qmmm_mmgradient_bugfix
53s
Allow QMMM gradient for MM point charges, not just Gaussian charges CI #3204: Pull request #2959 synchronize by sunqm
2h 18m 35s henryw7:qmmm_mmgradient_bugfix
henryw7:qmmm_mmgradient_bugfix
2h 18m 35s
Raise warnings when computing TDDFT gradients with DF-HF or DF-KS Lint #2859: Pull request #2963 opened by sunqm
54s sunqm:tddft-gradients-wrapper
sunqm:tddft-gradients-wrapper
54s
Raise warnings when computing TDDFT gradients with DF-HF or DF-KS CI #3203: Pull request #2963 opened by sunqm
2h 19m 38s sunqm:tddft-gradients-wrapper
sunqm:tddft-gradients-wrapper
2h 19m 38s
Allow QMMM gradient for MM point charges, not just Gaussian charges CI #3202: Pull request #2959 opened by henryw7
2h 20m 7s henryw7:qmmm_mmgradient_bugfix
henryw7:qmmm_mmgradient_bugfix
2h 20m 7s
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
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