Asfe freesolv - #134

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jaclark5 wants to merge 17 commits into

mainfrom

Commits on Aug 5, 2026

Fix yaml format
jaclark5
committed
9a2bd96

Commits on Aug 6, 2026

make unit consistent
jaclark5
committed
0c37375

Commits on Aug 7, 2026

Update metadata prep to detect and add calc mode, library module, alchemicalarchive to tags, and improve formatting for ASFEs
jaclark5
committed
0fb28c5
submit asfe submission
jaclark5
committed
40f4b36
Add asfe plotting script
jaclark5
committed
d718bdb
Review comment

jaclark5
and
Copilot
authored
44ade0c
address reviewer comments
jaclark5
committed
ff5a50c

Commits on Aug 10, 2026

Merge branch 'main' into asfe_freesolv
jaclark5
committed
77997db
fix asfe plotting scripts
jaclark5
committed
80d7275

Commits on Aug 18, 2026

Merge branch 'main' into asfe_freesolv
jaclark5
committed
d9480ad
Add calculation type
jaclark5
committed
54ae5a8

Commits on Aug 19, 2026

Update prepare_metadata
jaclark5
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555f253
Update computational_results keys
jaclark5
committed
76ea7bc
Update asfe results
jaclark5
committed
9c10231
Update asfe processing
jaclark5
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69dcfb2
remove legacy reference
jaclark5
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0d20be6
update tags
jaclark5
committed
032c721