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Update mcscf docstring (issue #2119)
Lint #979: Commit baa71fa pushed by sunqm
March 8, 2024 00:01 48s fci-optimize-omp
March 8, 2024 00:01 48s
Update mcscf docstring (issue #2119)
CI #1060: Commit baa71fa pushed by sunqm
March 8, 2024 00:01 51m 51s fci-optimize-omp
March 8, 2024 00:01 51m 51s
Fix xcfun high-order derivatives
Lint #978: Commit 99382d3 pushed by sunqm
March 7, 2024 18:39 53s xcfun-patch
March 7, 2024 18:39 53s
Fix xcfun high-order derivatives
CI #1059: Commit 99382d3 pushed by sunqm
March 7, 2024 18:39 51m 59s xcfun-patch
March 7, 2024 18:39 51m 59s
Fix ndarray_pointer_2d
Lint #977: Commit fd17148 pushed by sunqm
February 26, 2024 18:58 1m 45s np_helper
February 26, 2024 18:58 1m 45s
Fix ndarray_pointer_2d
CI #1058: Commit fd17148 pushed by sunqm
February 26, 2024 18:58 55m 4s np_helper
February 26, 2024 18:58 55m 4s
Add tests for ndarray_pointer_2d function
Lint #976: Commit f03afe3 pushed by sunqm
February 25, 2024 18:49 47s np_helper
February 25, 2024 18:49 47s
Add tests for ndarray_pointer_2d function
CI #1057: Commit f03afe3 pushed by sunqm
February 25, 2024 18:49 46m 33s np_helper
February 25, 2024 18:49 46m 33s
lint error
Lint #975: Commit 2e9782d pushed by sunqm
February 12, 2024 07:04 48s 2073
February 12, 2024 07:04 48s
lint error
CI #1056: Commit 2e9782d pushed by sunqm
February 12, 2024 07:04 45m 58s 2073
February 12, 2024 07:04 45m 58s
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
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
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
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
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
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
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
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 #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
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)
Lint #967: Commit 4437ce0 pushed by sunqm
February 3, 2024 23:17 45s 2054
February 3, 2024 23:17 45s