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Restore CxLebedevGrid.c and fix bug
Lint #974: Commit fe64123 pushed by sunqm
February 11, 2024 23:45 45s 2073
February 11, 2024 23:45 45s
Restore CxLebedevGrid.c and fix bug
CI #1055: Commit fe64123 pushed by sunqm
February 11, 2024 23:45 1h 5m 45s 2073
February 11, 2024 23:45 1h 5m 45s
Move LebedevGrid C code to Python code; fix issue #2073
Lint #973: Commit e22bc0e pushed by sunqm
February 11, 2024 20:15 56s 2073
February 11, 2024 20:15 56s
Move LebedevGrid C code to Python code; fix issue #2073
CI #1054: Commit e22bc0e pushed by sunqm
February 11, 2024 20:15 1h 2m 39s 2073
February 11, 2024 20:15 1h 2m 39s
Add an API to dump system info
CI #1053: Commit 3540f3b pushed by sunqm
February 11, 2024 19:45 46m 8s 2072
February 11, 2024 19:45 46m 8s
Add an API to dump system info
Lint #972: Commit 3540f3b pushed by sunqm
February 11, 2024 19:45 47s 2072
February 11, 2024 19:45 47s
Slightly optimize fci efficiency
CI #1052: Commit a73a24a pushed by sunqm
February 6, 2024 10:59 45m 53s fci-optimize-omp
February 6, 2024 10:59 45m 53s
Slightly optimize fci efficiency
Lint #971: Commit a73a24a pushed by sunqm
February 6, 2024 10:59 48s fci-optimize-omp
February 6, 2024 10:59 48s
Slightly optimize fci efficiency
Lint #970: Commit 6f21f91 pushed by sunqm
February 6, 2024 01:49 49s fci-optimize-omp
February 6, 2024 01:49 49s
Slightly optimize fci efficiency
CI #1051: Commit 6f21f91 pushed by sunqm
February 6, 2024 01:49 6h 0m 25s fci-optimize-omp
February 6, 2024 01:49 6h 0m 25s
Release 2.5
CI #1050: Commit 7346510 pushed by sunqm
February 3, 2024 23:46 1h 10m 34s 2.5
2.5
February 3, 2024 23:46 1h 10m 34s
Release 2.5
Lint #969: Commit 7346510 pushed by sunqm
February 3, 2024 23:46 45s 2.5
2.5
February 3, 2024 23:46 45s
Release 2.5
CI #1049: Commit 5665c78 pushed by sunqm
February 3, 2024 23:44 2m 41s 2.5
2.5
February 3, 2024 23:44 2m 41s
Release 2.5
Lint #968: Commit 5665c78 pushed by sunqm
February 3, 2024 23:44 46s 2.5
2.5
February 3, 2024 23:44 46s
Fix df-grad for UHF when symmetry is enabled (issue #2054)
CI #1048: Commit 4437ce0 pushed by sunqm
February 3, 2024 23:17 1h 8m 0s 2054
February 3, 2024 23:17 1h 8m 0s
Fix df-grad for UHF when symmetry is enabled (issue #2054)
Lint #967: Commit 4437ce0 pushed by sunqm
February 3, 2024 23:17 45s 2054
February 3, 2024 23:17 45s
Import error in momgfccsd tests
CI #1047: Commit 1bb60aa pushed by sunqm
February 3, 2024 22:50 1h 5m 3s mpi-in-ccsd
February 3, 2024 22:50 1h 5m 3s
Import error in momgfccsd tests
Lint #966: Commit 1bb60aa pushed by sunqm
February 3, 2024 22:50 49s mpi-in-ccsd
February 3, 2024 22:50 49s
February 3, 2024 22:47 44s
Check cylindrical symmetry of the orbitals for FCI solver (issue #2022)
CI #1046: Commit e9988a0 pushed by sunqm
February 3, 2024 22:47 46m 21s 2022
February 3, 2024 22:47 46m 21s
Fix bug for init_guess=atom (issue #2056)
Lint #964: Commit b14bb88 pushed by sunqm
February 3, 2024 22:43 45s 2056
February 3, 2024 22:43 45s
Fix bug for init_guess=atom (issue #2056)
CI #1045: Commit b14bb88 pushed by sunqm
February 3, 2024 22:43 1h 5m 24s 2056
February 3, 2024 22:43 1h 5m 24s
Improve magmom initialization (issue #2055)
CI #1044: Commit 530abda pushed by sunqm
February 3, 2024 22:07 1h 3m 16s magmom-default
February 3, 2024 22:07 1h 3m 16s
Improve magmom initialization (issue #2055)
Lint #963: Commit 530abda pushed by sunqm
February 3, 2024 22:07 1m 0s magmom-default
February 3, 2024 22:07 1m 0s
import error
Lint #962: Commit 672c534 pushed by sunqm
February 3, 2024 22:02 49s mpi-in-ccsd
February 3, 2024 22:02 49s
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