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Density fitting implementation for the NEVPT2 CI #3311: Pull request #3024 synchronize by JangidBhavnesh
2h 21m 24s JangidBhavnesh:dfnevpt2
JangidBhavnesh:dfnevpt2
2h 21m 24s
Density fitting implementation for the NEVPT2 Lint #2967: Pull request #3024 synchronize by JangidBhavnesh
51s JangidBhavnesh:dfnevpt2
JangidBhavnesh:dfnevpt2
51s
Fix segfault in tests (#3020) Lint #2966: Commit e155c48 pushed by sunqm
53s master
master
53s
Fix segfault in tests (#3020) CI #3310: Commit e155c48 pushed by sunqm
2h 22m 59s master
master
2h 22m 59s
Add to_gpu for NumInt2C (#3044) CI #3309: Commit a896847 pushed by sunqm
2h 21m 44s master
master
2h 21m 44s
Add to_gpu for NumInt2C (#3044) Lint #2965: Commit a896847 pushed by sunqm
52s master
master
52s
In pseudopotential nonlocal term gradient, if large imaginary is foun… CI #3308: Commit cf5c576 pushed by sunqm
2h 22m 42s master
master
2h 22m 42s
In pseudopotential nonlocal term gradient, if large imaginary is foun… Lint #2964: Commit cf5c576 pushed by sunqm
48s master
master
48s
Fix segfault in tests CI #3307: Pull request #3020 synchronize by sunqm
2h 17m 0s susilehtola:fix_segfault
susilehtola:fix_segfault
2h 17m 0s
Fix segfault in tests Lint #2963: Pull request #3020 synchronize by sunqm
51s susilehtola:fix_segfault
susilehtola:fix_segfault
51s
In pseudopotential nonlocal term gradient, if large imaginary is found, print warning instead of raise error CI #3306: Pull request #3047 opened by henryw7
2h 16m 18s henryw7:pseudo_gradient_cleanup_follow
henryw7:pseudo_gradient_cleanup_follow
2h 16m 18s
In pseudopotential nonlocal term gradient, if large imaginary is found, print warning instead of raise error Lint #2962: Pull request #3047 opened by henryw7
49s henryw7:pseudo_gradient_cleanup_follow
henryw7:pseudo_gradient_cleanup_follow
49s
Fix conda release CI #3305: Pull request #3046 opened by sunqm
2h 22m 0s sunqm:conda-fix
sunqm:conda-fix
2h 22m 0s
Fix conda release Lint #2961: Pull request #3046 opened by sunqm
51s sunqm:conda-fix
sunqm:conda-fix
51s
Add to_gpu for NumInt2C CI #3304: Pull request #3044 synchronize by sunqm
2h 20m 43s puzhichen:feat/numint2c_to_gpu
puzhichen:feat/numint2c_to_gpu
2h 20m 43s
Add to_gpu for NumInt2C Lint #2960: Pull request #3044 synchronize by sunqm
52s puzhichen:feat/numint2c_to_gpu
puzhichen:feat/numint2c_to_gpu
52s
Add support for the new "from_cpu" API in GPU4PySCF (#3033) CI #3302: Commit 469dfc6 pushed by sunqm
2h 24m 39s master
master
2h 24m 39s
Add support for the new "from_cpu" API in GPU4PySCF (#3033) Lint #2958: Commit 469dfc6 pushed by sunqm
50s master
master
50s
Evaluate pseudo potential nonlocal term gradient on real space, the s… Lint #2957: Commit 7e1a376 pushed by sunqm
47s master
master
47s
Evaluate pseudo potential nonlocal term gradient on real space, the s… CI #3301: Commit 7e1a376 pushed by sunqm
2h 22m 5s master
master
2h 22m 5s
fix a few typos CI #3300: Commit ca55009 pushed by sunqm
2h 23m 23s master
master
2h 23m 23s
fix a few typos Lint #2956: Commit ca55009 pushed by sunqm
50s master
master
50s
validate occupancy assignment Lint #2955: Pull request #3025 synchronize by sunqm
51s sunqm:pbc-occ-check
sunqm:pbc-occ-check
51s
validate occupancy assignment CI #3299: Pull request #3025 synchronize by sunqm
1h 58m 43s sunqm:pbc-occ-check
sunqm:pbc-occ-check
1h 58m 43s
New Features and Improvements in the Molecular ADC Module Lint #2954: Pull request #3042 opened by sokolov-group
53s sokolov-group:master
sokolov-group:master
53s
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