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fix get_fock signature for dynamic level shift CI #3959: Pull request #3378 opened by jeanwsr
In progress jeanwsr:fix-3063
jeanwsr:fix-3063
In progress
fix get_fock signature for dynamic level shift Lint #3615: Pull request #3378 opened by jeanwsr
46s jeanwsr:fix-3063
jeanwsr:fix-3063
46s
support DOS via ASE CI #3958: Pull request #3376 synchronize by jeanwsr
3h 31m 58s jeanwsr:dos
jeanwsr:dos
3h 31m 58s
support DOS via ASE Lint #3614: Pull request #3376 synchronize by jeanwsr
49s jeanwsr:dos
jeanwsr:dos
49s
support DOS via ASE CI #3957: Pull request #3376 synchronize by jeanwsr
3h 33m 57s jeanwsr:dos
jeanwsr:dos
3h 33m 57s
support DOS via ASE Lint #3613: Pull request #3376 synchronize by jeanwsr
42s jeanwsr:dos
jeanwsr:dos
42s
support DOS via ASE CI #3956: Pull request #3376 synchronize by jeanwsr
3h 31m 35s jeanwsr:dos
jeanwsr:dos
3h 31m 35s
support DOS via ASE Lint #3612: Pull request #3376 synchronize by jeanwsr
43s jeanwsr:dos
jeanwsr:dos
43s
support DOS via ASE CI #3955: Pull request #3376 opened by jeanwsr
10m 15s jeanwsr:dos
jeanwsr:dos
10m 15s
support DOS via ASE Lint #3611: Pull request #3376 opened by jeanwsr
46s jeanwsr:dos
jeanwsr:dos
46s
Pyscf lpdft mixed spin CI #3954: Pull request #3375 opened by helenclifford
3h 28m 27s helenclifford:pyscf-lpdft-mixed-spin
helenclifford:pyscf-lpdft-mixed-spin
3h 28m 27s
Pyscf lpdft mixed spin Lint #3610: Pull request #3375 opened by helenclifford
49s helenclifford:pyscf-lpdft-mixed-spin
helenclifford:pyscf-lpdft-mixed-spin
49s
Fix basis projection in nearly linearly dependent basis sets (#3333) Lint #3609: Commit 8496d69 pushed by sunqm
45s master
master
45s
Fix basis projection in nearly linearly dependent basis sets (#3333) CI #3953: Commit 8496d69 pushed by sunqm
3h 34m 46s master
master
3h 34m 46s
Fetch libxc 7.1.1 Lint #3608: Pull request #3336 synchronize by sunqm
45s susilehtola:libxc710
susilehtola:libxc710
45s
Fetch libxc 7.1.1 CI #3952: Pull request #3336 synchronize by sunqm
3h 33m 2s susilehtola:libxc710
susilehtola:libxc710
3h 33m 2s
Update SAP data: these are now from fractionally occupied exchange-on… Lint #3607: Commit 018f3c2 pushed by sunqm
49s master
master
49s
Update SAP data: these are now from fractionally occupied exchange-on… CI #3951: Commit 018f3c2 pushed by sunqm
3h 30m 54s master
master
3h 30m 54s
Modify x2c tdscf tests due to numerical uncerntainty (#3365) Lint #3606: Commit 80a2bad pushed by sunqm
48s master
master
48s
Modify x2c tdscf tests due to numerical uncerntainty (#3365) CI #3950: Commit 80a2bad pushed by sunqm
2h 46m 44s master
master
2h 46m 44s
Fix flaky tests in x2c/test/test_tdscf.py (macOS/Accelerate BLAS) Lint #3605: Pull request #3374 opened by vandan-revanur
47s vandan-revanur:fix-flaky-test
vandan-revanur:fix-flaky-test
47s
Fix flaky tests in x2c/test/test_tdscf.py (macOS/Accelerate BLAS) CI #3949: Pull request #3374 opened by vandan-revanur
3h 31m 13s vandan-revanur:fix-flaky-test
vandan-revanur:fix-flaky-test
3h 31m 13s
Fix shape handling for spinor 4-center integrals in getints4c (#3370) CI #3948: Commit 8229d36 pushed by jeanwsr
3h 33m 38s master
master
3h 33m 38s
Fix shape handling for spinor 4-center integrals in getints4c (#3370) Lint #3604: Commit 8229d36 pushed by jeanwsr
1m 25s master
master
1m 25s
ignore/fix ruff 0.16 new errors Lint #3602: Pull request #3358 synchronize by jeanwsr
57s jeanwsr:ruff-016
jeanwsr:ruff-016
57s