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nightly build nightly build #830: Scheduled
Queued master
master
Queued
Fix the bad atomic radii assigned to ghost atom, which causes a bad Becke partition and a negative BSSE Lint #3555: Pull request #814 synchronize by henryw7
32s bytedance:bsse_grid_bugfix
bytedance:bsse_grid_bugfix
32s
Fix the bad atomic radii assigned to ghost atom, which causes a bad Becke partition and a negative BSSE self hosted CI #2791: Pull request #814 synchronize by henryw7
2h 34m 9s bytedance:bsse_grid_bugfix
bytedance:bsse_grid_bugfix
2h 34m 9s
Optimize density fitting performance and memory efficiency self hosted CI #2790: Pull request #816 opened by sunqm
2h 0m 48s sunqm:optimize-df_cderi
sunqm:optimize-df_cderi
2h 0m 48s
Optimize density fitting performance and memory efficiency Lint #3554: Pull request #816 opened by sunqm
27s sunqm:optimize-df_cderi
sunqm:optimize-df_cderi
27s
Reduce memory footprint and increase the speed for C-PCM on large mol… Lint #3553: Commit 3ae9805 pushed by sunqm
29s master
master
29s
Reduce memory footprint and increase the speed for C-PCM on large mol… self hosted CI #2789: Commit 3ae9805 pushed by sunqm
2h 34m 45s master
master
2h 34m 45s
Fix the bad atomic radii assigned to ghost atom, which causes a bad Becke partition and a negative BSSE Lint #3552: Pull request #814 opened by henryw7
29s bytedance:bsse_grid_bugfix
bytedance:bsse_grid_bugfix
29s
Fix the bad atomic radii assigned to ghost atom, which causes a bad Becke partition and a negative BSSE self hosted CI #2788: Pull request #814 opened by henryw7
5h 21m 27s bytedance:bsse_grid_bugfix
bytedance:bsse_grid_bugfix
5h 21m 27s
nightly build nightly build #829: Scheduled
10h 6m 49s master
master
10h 6m 49s
nightly build nightly build #828: Scheduled
13h 28m 3s master
master
13h 28m 3s
Fix wb97x D4 method parsing self hosted CI #2787: Commit 1740bc2 pushed by sunqm
2h 34m 5s master
master
2h 34m 5s
Fix wb97x D4 method parsing Lint #3551: Commit 1740bc2 pushed by sunqm
33s master
master
33s
self hosted CI self hosted CI #2786: by sunqm
2h 34m 9s master
master
2h 34m 9s
Lint Lint #3550: by sunqm
33s master
master
33s
Reduce memory footprint and increase the speed for C-PCM on large molecule Lint #3549: Pull request #809 synchronize by henryw7
27s bytedance:pcm_hessian_big_molecule
bytedance:pcm_hessian_big_molecule
27s
Reduce memory footprint and increase the speed for C-PCM on large molecule self hosted CI #2785: Pull request #809 synchronize by henryw7
11h 31m 19s bytedance:pcm_hessian_big_molecule
bytedance:pcm_hessian_big_molecule
11h 31m 19s
Reduce memory footprint and increase the speed for C-PCM on large molecule Lint #3548: Pull request #809 synchronize by henryw7
28s bytedance:pcm_hessian_big_molecule
bytedance:pcm_hessian_big_molecule
28s
Reduce memory footprint and increase the speed for C-PCM on large molecule self hosted CI #2784: Pull request #809 synchronize by henryw7
3h 12m 52s bytedance:pcm_hessian_big_molecule
bytedance:pcm_hessian_big_molecule
3h 12m 52s
nightly build nightly build #827: Scheduled
11h 35m 8s master
master
11h 35m 8s
Fix a bug when ghost atom has no grid with significant density, vv10 grid response gradient/hessian fails Lint #3547: Pull request #813 opened by henryw7
25s bytedance:vv10_gridresponse_ghost_bugfix
bytedance:vv10_gridresponse_ghost_bugfix
25s
Fix a bug when ghost atom has no grid with significant density, vv10 grid response gradient/hessian fails self hosted CI #2783: Pull request #813 opened by henryw7
2h 34m 10s bytedance:vv10_gridresponse_ghost_bugfix
bytedance:vv10_gridresponse_ghost_bugfix
2h 34m 10s
Fix wb97x D4 method parsing self hosted CI #2782: Pull request #812 opened by JiashuLiang
2h 45m 21s bytedance:fix/wb97x-d4
bytedance:fix/wb97x-d4
2h 45m 21s
Fix wb97x D4 method parsing Lint #3546: Pull request #812 opened by JiashuLiang
28s bytedance:fix/wb97x-d4
bytedance:fix/wb97x-d4
28s
Minor cpu-gpu transfer cleanup (#810) self hosted CI #2781: Commit d0db57f pushed by sunqm
2h 33m 18s master
master
2h 33m 18s