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Alternative constructor for Atom - #29

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gustavojra merged 2 commits into
FermiQC:mainfrom
lukas-weber:main
Aug 7, 2026
Merged

gustavojra merged 2 commits into
FermiQC:mainfrom
lukas-weber:main

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@lukas-weber

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This PR adds the new constructor Atom(name::Symbol, xyz::AbstractVector), which fills in the standard value for the mass.

This constructor is especially useful when defining molecules without the string format.

@gustavojra
gustavojra merged commit 4aad877 into FermiQC:main Aug 7, 2026
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2 participants