8000 Qcop CLI for converting xyz file to printed out array of arrays in bohr (sub issue of creating CLI) · Issue #16 · coltonbh/qcop · GitHub
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Qcop CLI for converting xyz file to printed out array of arrays in bohr (sub issue of creating CLI) #16
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@coltonbh

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@coltonbh

qcop bohr file.xyz

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

For quick conversion of xyz files to copy and paste into input.toml files.

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