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Fix Gv shape in pbc/30-overlap_periodic_cell.py example (closes #2961) Lint #3554: Pull request #3354 opened by physbean
Action required physbean:fix/pbc-ft-aopair-gv-shape-2961
physbean:fix/pbc-ft-aopair-gv-shape-2961
Action required
Fix Gv shape in pbc/30-overlap_periodic_cell.py example (closes #2961) CI #3898: Pull request #3354 opened by physbean
Action required physbean:fix/pbc-ft-aopair-gv-shape-2961
physbean:fix/pbc-ft-aopair-gv-shape-2961
Action required
Fix divide-by-zero in selected_ci.contract_2e when nelec contains zero (fixes #3091) Lint #3553: Pull request #3353 opened by physbean
Action required physbean:fix/selected-ci-contract-2e-zero-nelec-3091
physbean:fix/selected-ci-contract-2e-zero-nelec-3091
Action required
Fix divide-by-zero in selected_ci.contract_2e when nelec contains zero (fixes #3091) CI #3897: Pull request #3353 opened by physbean
Action required physbean:fix/selected-ci-contract-2e-zero-nelec-3091
physbean:fix/selected-ci-contract-2e-zero-nelec-3091
Action required
Fix numpy.int32 overflow in PBC DFT aft.py nij buffer allocation (closes #3346) CI #3895: Pull request #3351 opened by physbean
Action required physbean:fix/pbc-aft-nij-int32-overflow-3346
physbean:fix/pbc-aft-nij-int32-overflow-3346
Action required
Fix numpy.int32 overflow in PBC DFT aft.py nij buffer allocation (closes #3346) Lint #3551: Pull request #3351 opened by physbean
Action required physbean:fix/pbc-aft-nij-int32-overflow-3346
physbean:fix/pbc-aft-nij-int32-overflow-3346
Action required
fix typo in init in Gradients class (#3345) CI #3894: Commit d253bdb pushed by MatthewRHermes
3h 41m 37s master
master
3h 41m 37s
fix typo in init in Gradients class (#3345) Lint #3550: Commit d253bdb pushed by MatthewRHermes
44s master
master
44s
Fix #3342 (pbc KUHF get_occ when nelecb==0) CI #3893: Pull request #3348 opened by MatthewRHermes
3h 46m 37s MatthewRHermes:fix_3342
MatthewRHermes:fix_3342
3h 46m 37s
Fix #3342 (pbc KUHF get_occ when nelecb==0) Lint #3549: Pull request #3348 opened by MatthewRHermes
45s MatthewRHermes:fix_3342
MatthewRHermes:fix_3342
45s
fix typo in init in Gradients class CI #3891: Pull request #3345 opened by helenclifford
3h 28m 32s helenclifford:patch-1
helenclifford:patch-1
3h 28m 32s
fix typo in init in Gradients class Lint #3547: Pull request #3345 opened by helenclifford
48s helenclifford:patch-1
helenclifford:patch-1
48s
Fix UnboundLocalError in pbc KUHF get_occ when there are no beta electrons CI #3890: Pull request #3343 opened by SAY-5
3h 29m 21s SAY-5:fix-kuhf-get-occ-no-beta
SAY-5:fix-kuhf-get-occ-no-beta
3h 29m 21s
Fix UnboundLocalError in pbc KUHF get_occ when there are no beta electrons Lint #3546: Pull request #3343 opened by SAY-5
48s SAY-5:fix-kuhf-get-occ-no-beta
SAY-5:fix-kuhf-get-occ-no-beta
48s
Fetch libxc 7.1.1 Lint #3545: Pull request #3336 synchronize by susilehtola
45s susilehtola:libxc710
susilehtola:libxc710
45s
Fetch libxc 7.1.1 CI #3889: Pull request #3336 synchronize by susilehtola
3h 30m 9s susilehtola:libxc710
susilehtola:libxc710
3h 30m 9s
Prevent premature Krylov termination in CPHF and UCPHF solves Lint #3544: Pull request #3334 synchronize by sahilmathur254
8m 38s sahilmathur254:fix/3304-bug-report-cphf-solutions-silently-t
sahilmathur254:fix/3304-bug-report-cphf-solutions-silently-t
8m 38s
Prevent premature Krylov termination in CPHF and UCPHF solves CI #3888: Pull request #3334 synchronize by sahilmathur254
3h 35m 8s sahilmathur254:fix/3304-bug-report-cphf-solutions-silently-t
sahilmathur254:fix/3304-bug-report-cphf-solutions-silently-t
3h 35m 8s
Fetch libxc 7.1.1 CI #3887: Pull request #3336 synchronize by susilehtola
3h 37m 47s susilehtola:libxc710
susilehtola:libxc710
3h 37m 47s
Fetch libxc 7.1.1 Lint #3543: Pull request #3336 synchronize by susilehtola
38s susilehtola:libxc710
susilehtola:libxc710
38s
Fix UHF gradients for selected atoms CI #3886: Pull request #3341 opened by wtpeter
3h 35m 26s wtpeter:fix/uhf-grad-atmlst
wtpeter:fix/uhf-grad-atmlst
3h 35m 26s
Fix UHF gradients for selected atoms Lint #3542: Pull request #3341 opened by wtpeter
35s wtpeter:fix/uhf-grad-atmlst
wtpeter:fix/uhf-grad-atmlst
35s
PySCF v2.14.0 release Publish #31: Release v2.14.0 released by sunqm
2h 35m 13s
2h 35m 13s
Create release Create release #23: Manually run by sunqm
14s master
master
14s
Release 2.14.0 (#3297) Lint #3541: Commit c63a953 pushed by sunqm
45s master
master
45s