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Commits on Sep 7, 2024

Merge pull request #27 from lukas-weber/main
gustavojra
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Commits on Sep 6, 2024

Commits on Jun 24, 2022

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Commits on Jun 21, 2022

Merge branch 'main' of github.com:gustavojra/Molecules.jl into main
gustavojra
committed
Atom and Molecule structs modified to hold parametric types. StaticArrays are used throughout the code for length 3 vectors and 3x3 matrices
gustavojra
committed

Commits on Jun 20, 2022

Merge pull request #24 from gustavojra/main
gustavojra
authored

Commits on Jun 15, 2022

More tests for parsing and properties including Molecule objects. Parsing sligtly modified to give better error feedback. Corrected type bor => bohr on conversion constant.
gustavojra
committed

Commits on Jun 14, 2022

Commits on Jun 6, 2022

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Commits on Apr 6, 2022

Merge branch 'FermiQC:main' into sgoodlett
sgoodlett
authored

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