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Feat/hybrid center xyz file
- #496
#496
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ape33
merged 5 commits into
dev
MolarVerse/PQ:dev
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feat/hybrid-center-xyz-file
MolarVerse/PQ:feat/hybrid-center-xyz-file
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Aug 13, 2026
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Feat/hybrid center xyz file
#496
ape33
merged 5 commits into
dev
MolarVerse/PQ:dev
from
feat/hybrid-center-xyz-file
MolarVerse/PQ:feat/hybrid-center-xyz-file
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Commits
Commits on Aug 12, 2026
feat: write hybrid calc inner region center to .center.xyz file
ape33
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f5c158e
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refactor: add inner region center atom name to defaults.hpp
ape33
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2cdfcd4
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doc: add changelog fragment for inner region center xyz file
ape33
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test: add hybrid center xyz output coverage
galjos
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67a6046
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style: format hybrid center xyz test
galjos
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4920f2c
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