Added newline character to Molecule xyz serialization. Added option t… - Githubissues

coltonbh / qcio

A package for structured Quantum Chemistry data.

MIT License

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Added newline character to Molecule xyz serialization. Added option t… #20

Closed coltonbh closed 9 months ago

coltonbh commented 9 months ago

…o save OptimizationOutput as xyz trajectory.

Closes #19 Closes #18