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Enable xcfun compilation CI #1023: Commit 91b22e2 pushed by sunqm
January 25, 2024 07:37 1h 8m 59s rohf-chkfile
rohf-chkfile
January 25, 2024 07:37 1h 8m 59s
Enable some xc_deriv tests CI #1022: Commit 7961317 pushed by sunqm
January 24, 2024 09:00 44m 29s rohf-chkfile
rohf-chkfile
January 24, 2024 09:00 44m 29s
Add checks for malloc CI #1021: Commit 33237f4 pushed by sunqm
January 5, 2024 18:28 44m 54s malloc-check
malloc-check
January 5, 2024 18:28 44m 54s
Optimize auxbasis_response in df-hessian CI #1020: Commit 178d9ba pushed by sunqm
January 4, 2024 22:50 9m 53s dynamic-class
dynamic-class
January 4, 2024 22:50 9m 53s
Fix chkfile initial guess problem for ROHF and ROKS (issue #1986) CI #1019: Commit 5aef8c3 pushed by sunqm
January 1, 2024 18:57 45m 22s rohf-chkfile
rohf-chkfile
January 1, 2024 18:57 45m 22s
typo CI #1018: Commit a7cb832 pushed by sunqm
January 1, 2024 17:54 44m 47s hessian-grids
hessian-grids
January 1, 2024 17:54 44m 47s
Ensure shape of lattice vectors (issue #1932) CI #1017: Commit 83b10e4 pushed by sunqm
January 1, 2024 17:47 7m 0s hessian-grids
hessian-grids
January 1, 2024 17:47 7m 0s
Warning messages for MGGA in Hessian calculations CI #1016: Commit b12afcf pushed by sunqm
December 23, 2023 09:13 45m 45s hessian-grids
hessian-grids
December 23, 2023 09:13 45m 45s
Update cmake patch command (issue #1998) CI #1015: Commit 6aaf629 pushed by sunqm
December 19, 2023 01:40 45m 5s xcfun-patch
xcfun-patch
December 19, 2023 01:40 45m 5s
Adjust omega value in rsdf and rsjk CI #1014: Commit 8d5547c pushed by sunqm
December 19, 2023 01:04 53m 19s df-mesh
df-mesh
December 19, 2023 01:04 53m 19s
Limits omega value in rsdf and rsjk CI #1013: Commit dc512cf pushed by sunqm
December 18, 2023 19:45 54m 59s df-mesh
df-mesh
December 18, 2023 19:45 54m 59s
Fix post-hf Gradients with cartesian GTOs (issue #1985) CI #1012: Commit 4a0dbc6 pushed by sunqm
December 16, 2023 23:08 1h 3m 58s mp2-cart
mp2-cart
December 16, 2023 23:08 1h 3m 58s
Handle xcfun patch failure in cmake CI #1011: Commit 4dd26c1 pushed by sunqm
December 16, 2023 21:50 44m 57s cmake-patch
cmake-patch
December 16, 2023 21:50 44m 57s
Update Mole and Cell for the hasattr error in to_gpu and to_cpu methods CI #1010: Commit 0724935 pushed by sunqm
December 9, 2023 18:28 1h 5m 15s to_gpu-tests
to_gpu-tests
December 9, 2023 18:28 1h 5m 15s
Fix a bug in ci string function CI #1009: Commit 73e38e3 pushed by sunqm
November 30, 2023 22:17 44m 22s fix-fci-string
fix-fci-string
November 30, 2023 22:17 44m 22s
Slightly optimize the fci contraction performance CI #1008: Commit ae39d1c pushed by sunqm
November 21, 2023 17:45 1h 3m 53s fci-str2addr
fci-str2addr
November 21, 2023 17:45 1h 3m 53s
Fix basis order issue in molden.load (issue #1961) CI #1007: Commit d053577 pushed by sunqm
November 18, 2023 23:49 1h 5m 20s molden
molden
November 18, 2023 23:49 1h 5m 20s
Swith off sparsity algorithm for small system (issue #1956) CI #1006: Commit 9d1415c pushed by sunqm
November 18, 2023 22:17 1h 3m 26s sparse-ao
sparse-ao
November 18, 2023 22:17 1h 3m 26s
Add level shift to CPHF solver CI #1005: Commit b70109e pushed by sunqm
November 15, 2023 07:06 52m 18s cphf-level-shift
cphf-level-shift
November 15, 2023 07:06 52m 18s
Add level shift to CPHF solver CI #1004: Commit 2f0946a pushed by sunqm
November 15, 2023 05:29 47m 54s cphf-level-shift
cphf-level-shift
November 15, 2023 05:29 47m 54s
Add level shift to CPHF solver CI #1003: Commit 4c29b2f pushed by sunqm
November 15, 2023 02:28 44m 59s cphf-level-shift
cphf-level-shift
November 15, 2023 02:28 44m 59s
Update Mole.loads method for backward compatibility CI #1002: Commit a525c0c pushed by sunqm
November 10, 2023 07:24 53m 34s chkfile-compatibility
chkfile-compatibility
November 10, 2023 07:24 53m 34s
Fix rsdf due to the basis sorting in 923d84c05 (issue 1942) CI #1001: Commit 1da52d5 pushed by sunqm
November 9, 2023 20:06 1h 11m 55s rsdf-fix
rsdf-fix
November 9, 2023 20:06 1h 11m 55s
Fix rsdf due to the basis sorting in 923d84c05 (issue 1942) CI #1000: Commit 84916aa pushed by sunqm
November 9, 2023 16:05 1h 18m 37s rsdf-fix
rsdf-fix
November 9, 2023 16:05 1h 18m 37s
Fix tests CI #999: Commit 737a9c0 pushed by sunqm
November 7, 2023 21:58 46m 47s multigrid
multigrid
November 7, 2023 21:58 46m 47s