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tequilahub
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Fix excitation indices sign
- #454
#454
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JdelArco98
wants to merge 11 commits into
tequilahub:devel
tequilahub/tequila:devel
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JdelArco98:patch-19
JdelArco98/tequila:patch-19
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Fix excitation indices sign
#454
JdelArco98
wants to merge 11 commits into
tequilahub:devel
tequilahub/tequila:devel
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JdelArco98:patch-19
JdelArco98/tequila:patch-19
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Commits on Mar 19, 2026
Fix excitation indices sign
JdelArco98
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286124f
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initial ruff chages + __ forgoten
JdelArco98
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ad3cf64
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Refactor helper functions to instance methods
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JdelArco98
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f893789
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Fix permutation factor calculation logic
JdelArco98
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4fddc68
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Commits on Apr 23, 2026
Merge branch 'devel' into patch-19
kottmanj
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334ab6c
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Commits on Jun 2, 2026
Merge branch 'devel' into patch-19
JdelArco98
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438a979
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Add freeze_core option and fix sign for consistency
JdelArco98
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d7f7c1c
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forgot _extract_active_space + ruf
JdelArco98
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262208b
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sorry ruff
JdelArco98
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6fe6cb5
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Add ignore_active_space parameter to compute amplitudes
JdelArco98
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11dd967
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Negate amplitudes in mp2 a
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JdelArco98
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e1af71b
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