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Release 2.15.0
Lint
#1635:
Commit
1f40432
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sunqm
41s
2.15
2.15
41s
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Release 2.15.0
CI
#1716:
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1f40432
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57m 13s
2.15
2.15
57m 13s
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Add a DFT functional alias BHHLYP
CI
#1715:
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e6f9d55
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1h 3m 59s
COACH
COACH
1h 3m 59s
View workflow file
Add a DFT functional alias BHHLYP
Lint
#1634:
Commit
e6f9d55
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COACH
COACH
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View workflow file
Fix SCF conversions for fractional occupations and closed-shell ROHF
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#1633:
Commit
219c531
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44s
rohf-to_rhf-conversion
rohf-to_rhf-conversion
44s
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Fix SCF conversions for fractional occupations and closed-shell ROHF
CI
#1714:
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219c531
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1h 4m 7s
rohf-to_rhf-conversion
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Update tests
CI
#1713:
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4f14ba7
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1h 4m 14s
pbc-scanner-fftdf-reset
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Update tests
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#1632:
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Handle the mesh attribute in FFTDF and AFTDF reset methods
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#1631:
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pbc-scanner-fftdf-reset
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Handle the mesh attribute in FFTDF and AFTDF reset methods
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#1712:
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36m 39s
pbc-scanner-fftdf-reset
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Supports SOC and scalar mixed PP
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#1630:
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be3b3a9
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39s
pp-soc
pp-soc
39s
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Supports SOC and scalar mixed PP
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#1711:
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59m 26s
pp-soc
pp-soc
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lint
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#1629:
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pp-soc
pp-soc
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lint
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#1710:
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pp-soc
pp-soc
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Add examples for PP-SOC
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pp-soc
pp-soc
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Add examples for PP-SOC
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#1709:
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5m 39s
pp-soc
pp-soc
5m 39s
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Simplify caspt2 function
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#1708:
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1h 3m 22s
fix-ruff-error
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Simplify caspt2 function
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#1627:
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Update skill template
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#1707:
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agent-recipes
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Update skill template
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#1626:
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agent-recipes
agent-recipes
1m 18s
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Revise AGENTS.md according to PR #3283
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#1706:
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Revise AGENTS.md according to PR #3283
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#1625:
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Revise policy
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#1705:
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3245
3245
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Revise policy
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#1624:
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1m 1s
3245
3245
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Add opt-in agent recipes
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#1704:
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