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Qcop CLI for comverting xyz file to printed out array of arrays in bohr #16

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coltonbh opened this issue Jan 10, 2024 · 0 comments
Open

Qcop CLI for comverting xyz file to printed out array of arrays in bohr #16

coltonbh opened this issue Jan 10, 2024 · 0 comments
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enhancement New feature or request

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qcop bohr file.xyz

symbols = [...]
geometry = [[...]]

For quick conversion of xyz files to copy and paste into input.toml files.
@coltonbh coltonbh added the enhancement New feature or request label Jan 10, 2024
@coltonbh coltonbh self-assigned this Jan 10, 2024
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